1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

C24H28ClN3O2 — CID 56507529

IUPAC1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)C1
InChIInChI=1S/C24H28ClN3O2/c25-20-8-6-19(7-9-20)24(12-2-13-24)23(30)27-21-10-4-17(5-11-21)15-28-14-1-3-18(16-28)22(26)29/h4-11,18H,1-3,12-16H2,(H2,26,29)(H,27,30)
InChIKeyPZYAKBSZUMDTLH-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.10
Rot. Bonds6

About 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56507529) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56507529
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)C1
InChIInChI=1S/C24H28ClN3O2/c25-20-8-6-19(7-9-20)24(12-2-13-24)23(30)27-21-10-4-17(5-11-21)15-28-14-1-3-18(16-28)22(26)29/h4-11,18H,1-3,12-16H2,(H2,26,29)(H,27,30)
InChIKeyPZYAKBSZUMDTLH-UHFFFAOYSA-N
XLogP4.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
ethyl 1-[4-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 133159210
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872151
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56507529) is 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)C1.
What is the InChIKey of 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PZYAKBSZUMDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-20-8-6-19(7-9-20)24(12-2-13-24)23(30)27-21-10-4-17(5-11-21)15-28-14-1-3-18(16-28)22(26)29/h4-11,18H,1-3,12-16H2,(H2,26,29)(H,27,30).
What are the key properties of 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).