1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea

C82H91ClN14O7 — CID 87728251

IUPAC1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1ccncc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NCc1cccc(N2CCOCC2)n1.Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C31H34N6O3.C28H29N5O2.C23H28ClN3O2/c1-22-5-8-26(30(38)37-13-11-25(12-14-37)24-9-6-23(20-32)7-10-24)19-28(22)35-31(39)33-21-27-3-2-4-29(34-27)36-15-17-40-18-16-36;1-19-3-6-25(17-26(19)32-28(35)31-20(2)22-9-13-30-14-10-22)27(34)33-15-11-24(12-16-33)23-7-4-21(18-29)5-8-23;1-15(2)25-23(29)26-21-14-19(5-4-16(21)3)22(28)27-12-10-18(11-13-27)17-6-8-20(24)9-7-17/h2-10,19,25H,11-18,21H2,1H3,(H2,33,35,39);3-10,13-14,17,20,24H,11-12,15-16H2,1-2H3,(H2,31,32,35);4-9,14-15,18H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyYXRZDMGMHMOKDF-UHFFFAOYSA-N
MW1420.17 g/mol
LogP14.80
Rot. Bonds15

About 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea

1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 87728251) has the molecular formula C82H91ClN14O7 and a molecular weight of 1420.17 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID87728251
Molecular FormulaC82H91ClN14O7
Molecular Weight1420.17 g/mol
Exact Mass1418.69
IUPAC Name1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1ccncc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NCc1cccc(N2CCOCC2)n1.Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C31H34N6O3.C28H29N5O2.C23H28ClN3O2/c1-22-5-8-26(30(38)37-13-11-25(12-14-37)24-9-6-23(20-32)7-10-24)19-28(22)35-31(39)33-21-27-3-2-4-29(34-27)36-15-17-40-18-16-36;1-19-3-6-25(17-26(19)32-28(35)31-20(2)22-9-13-30-14-10-22)27(34)33-15-11-24(12-16-33)23-7-4-21(18-29)5-8-23;1-15(2)25-23(29)26-21-14-19(5-4-16(21)3)22(28)27-12-10-18(11-13-27)17-6-8-20(24)9-7-17/h2-10,19,25H,11-18,21H2,1H3,(H2,33,35,39);3-10,13-14,17,20,24H,11-12,15-16H2,1-2H3,(H2,31,32,35);4-9,14-15,18H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyYXRZDMGMHMOKDF-UHFFFAOYSA-N
XLogP14.80
TPSA270.15 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001420.17
LogP ≤ 514.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea (CID 87728251) is 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1ccncc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NCc1cccc(N2CCOCC2)n1.Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)NC(C)C.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is YXRZDMGMHMOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O3.C28H29N5O2.C23H28ClN3O2/c1-22-5-8-26(30(38)37-13-11-25(12-14-37)24-9-6-23(20-32)7-10-24)19-28(22)35-31(39)33-21-27-3-2-4-29(34-27)36-15-17-40-18-16-36;1-19-3-6-25(17-26(19)32-28(35)31-20(2)22-9-13-30-14-10-22)27(34)33-15-11-24(12-16-33)23-7-4-21(18-29)5-8-23;1-15(2)25-23(29)26-21-14-19(5-4-16(21)3)22(28)27-12-10-18(11-13-27)17-6-8-20(24)9-7-17/h2-10,19,25H,11-18,21H2,1H3,(H2,33,35,39);3-10,13-14,17,20,24H,11-12,15-16H2,1-2H3,(H2,31,32,35);4-9,14-15,18H,10-13H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea?
1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 1420.17 g/mol, XLogP of 14.80, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[(6-morpholin-4-yl-2-pyridinyl)methyl]urea;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 87728251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).