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

C117H148ClN13O11 — CID 161441932

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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one (PubChem CID 161441932) has the molecular formula C117H148ClN13O11 and a molecular weight of 1948.00 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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one
• PubChem CID: 161441932
• Molecular Formula: C117H148ClN13O11
• Molecular Weight: 1948.00 g/mol
• Exact Mass: 1946.11
• 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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one
• SMILES: CC(=O)C(c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(=O)C(c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.Cc1ccc(C(C(=O)O)N2CC(C(=O)N3CCC(Cc4ccc5c(n4)NCCC5)CC3)C2)cc1
• InChI: InChI=1S/C31H39N3O3.C31H41N3O3.C28H34ClN3O2.C27H34N4O3/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)33-17-16-23(18-33)12-14-26-15-13-24-8-4-6-10-28(24)32-26;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;1-18-4-6-20(7-5-18)24(27(33)34)31-16-22(17-31)26(32)30-13-10-19(11-14-30)15-23-9-8-21-3-2-12-28-25(21)29-23/h3,5,7,9-11,22,24,26,30H,2,4,6,8,12-20H2,1H3;5,7,9,11,13,15,21,23,25,30H,4,6,8,10,12,14,16-20H2,1-3H3;3-4,7-8,10-11,20,22,27H,2,5-6,9,12-18H2,1H3;4-9,19,22,24H,2-3,10-17H2,1H3,(H,28,29)(H,33,34)/t;23-,30?;;/m.1../s1
• InChIKey: VZJRDWSOCUYMTC-VUAQERCNSA-N
• XLogP: 17.28
• TPSA: 264.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.00
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one (CID 161441932) 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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one is CC(=O)C(c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(=O)C(c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.Cc1ccc(C(C(=O)O)N2CC(C(=O)N3CCC(Cc4ccc5c(n4)NCCC5)CC3)C2)cc1.

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

The InChIKey is VZJRDWSOCUYMTC-VUAQERCNSA-N. The full InChI is InChI=1S/C31H39N3O3.C31H41N3O3.C28H34ClN3O2.C27H34N4O3/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)33-17-16-23(18-33)12-14-26-15-13-24-8-4-6-10-28(24)32-26;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;1-18-4-6-20(7-5-18)24(27(33)34)31-16-22(17-31)26(32)30-13-10-19(11-14-30)15-23-9-8-21-3-2-12-28-25(21)29-23/h3,5,7,9-11,22,24,26,30H,2,4,6,8,12-20H2,1H3;5,7,9,11,13,15,21,23,25,30H,4,6,8,10,12,14,16-20H2,1-3H3;3-4,7-8,10-11,20,22,27H,2,5-6,9,12-18H2,1H3;4-9,19,22,24H,2-3,10-17H2,1H3,(H,28,29)(H,33,34)/t;23-,30?;;/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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one has a molecular weight of 1948.00 g/mol, XLogP of 17.28, 29 rotatable bonds, 2 hydrogen bond donors, and 19 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;2-(4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;1-(2-propan-2-yloxyphenyl)-1-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]propan-2-one is sourced from PubChem (CID 161441932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).