1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C21H30ClN3O2 — CID 131927694

IUPAC1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O
InChIInChI=1S/C21H30ClN3O2/c1-21(2,3)25-14-16(12-19(25)26)20(27)23-18-8-10-24(11-9-18)13-15-4-6-17(22)7-5-15/h4-7,16,18H,8-14H2,1-3H3,(H,23,27)
InChIKeyQKRYQDHVHGPRLS-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.07
Rot. Bonds4

About 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 131927694) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID131927694
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O
InChIInChI=1S/C21H30ClN3O2/c1-21(2,3)25-14-16(12-19(25)26)20(27)23-18-8-10-24(11-9-18)13-15-4-6-17(22)7-5-15/h4-7,16,18H,8-14H2,1-3H3,(H,23,27)
InChIKeyQKRYQDHVHGPRLS-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-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-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 108762046
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47990926
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 108552371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55960560
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 131927694) is 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QKRYQDHVHGPRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-21(2,3)25-14-16(12-19(25)26)20(27)23-18-8-10-24(11-9-18)13-15-4-6-17(22)7-5-15/h4-7,16,18H,8-14H2,1-3H3,(H,23,27).
What are the key properties of 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131927694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).