N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C17H25ClN2O — CID 43918460

IUPACN-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-17(2,3)19-16(21)14-5-4-10-20(12-14)11-13-6-8-15(18)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyFMMQXCVWFQZAGL-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds3

About N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918460) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43918460
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-17(2,3)19-16(21)14-5-4-10-20(12-14)11-13-6-8-15(18)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyFMMQXCVWFQZAGL-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43918460) is N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FMMQXCVWFQZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-17(2,3)19-16(21)14-5-4-10-20(12-14)11-13-6-8-15(18)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).