N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C17H24ClN3O2 — CID 119627004

IUPACN-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-17(2,19)11-20-15(22)13-4-3-9-21(10-13)16(23)12-5-7-14(18)8-6-12/h5-8,13H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyWSDUTTKQWGBOGJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.05
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide

N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 119627004) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID119627004
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-17(2,19)11-20-15(22)13-4-3-9-21(10-13)16(23)12-5-7-14(18)8-6-12/h5-8,13H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyWSDUTTKQWGBOGJ-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 119627004) is N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is CC(C)(N)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is WSDUTTKQWGBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-17(2,19)11-20-15(22)13-4-3-9-21(10-13)16(23)12-5-7-14(18)8-6-12/h5-8,13H,3-4,9-11,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119627004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).