N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C23H34ClN3O2 — CID 47990926

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C23H34ClN3O2/c1-23(2,3)22(29)27-12-4-5-18(16-27)21(28)25-20-10-13-26(14-11-20)15-17-6-8-19(24)9-7-17/h6-9,18,20H,4-5,10-16H2,1-3H3,(H,25,28)
InChIKeyCWHJZYYUBIKPHH-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.71
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 47990926) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID47990926
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C23H34ClN3O2/c1-23(2,3)22(29)27-12-4-5-18(16-27)21(28)25-20-10-13-26(14-11-20)15-17-6-8-19(24)9-7-17/h6-9,18,20H,4-5,10-16H2,1-3H3,(H,25,28)
InChIKeyCWHJZYYUBIKPHH-UHFFFAOYSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47995274
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18121101
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 47990926) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is CWHJZYYUBIKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O2/c1-23(2,3)22(29)27-12-4-5-18(16-27)21(28)25-20-10-13-26(14-11-20)15-17-6-8-19(24)9-7-17/h6-9,18,20H,4-5,10-16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 420.00 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47990926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).