1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one

C148H189ClN16O13 — CID 159320558

About 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one

1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one (PubChem CID 159320558) has the molecular formula C148H189ClN16O13 and a molecular weight of 2435.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one
• PubChem CID: 159320558
• Molecular Formula: C148H189ClN16O13
• Molecular Weight: 2435.69 g/mol
• Exact Mass: 2433.43
• IUPAC Name: 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one
• SMILES: CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.CC(=O)C(c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/C31H39N3O3.C31H41N3O3.C30H40N4O3.C28H34ClN3O2.C28H35N3O2/c1-21(35)30(27-7-3-5-9-29(27)37-26-12-13-26)34-19-24(20-34)31(36)33-16-14-22(15-17-33)18-25-11-10-23-6-2-4-8-28(23)32-25;1-21(2)37-29-11-7-5-9-27(29)30(22(3)35)34-19-25(20-34)31(36)33-16-14-23(15-17-33)18-26-13-12-24-8-4-6-10-28(24)32-26;1-20(2)37-27-9-5-4-8-26(27)28(21(3)35)34-18-24(19-34)30(36)33-16-14-22(17-33)10-12-25-13-11-23-7-6-15-31-29(23)32-25;1-19(33)27(24-7-3-4-8-25(24)29)32-17-22(18-32)28(34)31-14-12-20(13-15-31)16-23-11-10-21-6-2-5-9-26(21)30-23;1-20(32)27(23-8-3-2-4-9-23)31-18-24(19-31)28(33)30-15-13-21(14-16-30)17-25-12-11-22-7-5-6-10-26(22)29-25/h3,5,7,9-11,22,24,26,30H,2,4,6,8,12-20H2,1H3;5,7,9,11-13,21,23,25,30H,4,6,8,10,14-20H2,1-3H3;4-5,8-9,11,13,20,22,24,28H,6-7,10,12,14-19H2,1-3H3,(H,31,32);3-4,7-8,10-11,20,22,27H,2,5-6,9,12-18H2,1H3;2-4,8-9,11-12,21,24,27H,5-7,10,13-19H2,1H3/t;;22-,28?;;/m..1../s1
• InChIKey: LDRZLLBCZZCOLY-WJYGIGCKSA-N
• XLogP: 22.27
• TPSA: 307.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2435.69
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one?

The IUPAC name of 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one (CID 159320558) is 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one.

What is the SMILES notation for 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one?

The canonical SMILES for 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one is CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.CC(=O)C(c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one?

The InChIKey is LDRZLLBCZZCOLY-WJYGIGCKSA-N. The full InChI is InChI=1S/C31H39N3O3.C31H41N3O3.C30H40N4O3.C28H34ClN3O2.C28H35N3O2/c1-21(35)30(27-7-3-5-9-29(27)37-26-12-13-26)34-19-24(20-34)31(36)33-16-14-22(15-17-33)18-25-11-10-23-6-2-4-8-28(23)32-25;1-21(2)37-29-11-7-5-9-27(29)30(22(3)35)34-19-25(20-34)31(36)33-16-14-23(15-17-33)18-26-13-12-24-8-4-6-10-28(24)32-26;1-20(2)37-27-9-5-4-8-26(27)28(21(3)35)34-18-24(19-34)30(36)33-16-14-22(17-33)10-12-25-13-11-23-7-6-15-31-29(23)32-25;1-19(33)27(24-7-3-4-8-25(24)29)32-17-22(18-32)28(34)31-14-12-20(13-15-31)16-23-11-10-21-6-2-5-9-26(21)30-23;1-20(32)27(23-8-3-2-4-9-23)31-18-24(19-31)28(33)30-15-13-21(14-16-30)17-25-12-11-22-7-5-6-10-26(22)29-25/h3,5,7,9-11,22,24,26,30H,2,4,6,8,12-20H2,1H3;5,7,9,11-13,21,23,25,30H,4,6,8,10,14-20H2,1-3H3;4-5,8-9,11,13,20,22,24,28H,6-7,10,12,14-19H2,1-3H3,(H,31,32);3-4,7-8,10-11,20,22,27H,2,5-6,9,12-18H2,1H3;2-4,8-9,11-12,21,24,27H,5-7,10,13-19H2,1H3/t;;22-,28?;;/m..1../s1.

What are the key properties of 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one?

1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one has a molecular weight of 2435.69 g/mol, XLogP of 22.27, 37 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-cyclopropyloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one is sourced from PubChem (CID 159320558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).