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

C21H22ClN3O3 — CID 51315265

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C(NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H22ClN3O3/c22-17-10-8-15(9-11-17)21(28)25-12-4-7-16(13-25)20(27)24-18(19(23)26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18H,4,7,12-13H2,(H2,23,26)(H,24,27)
InChIKeyRTZFMPPXRASXNZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.54
Rot. Bonds5

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

N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 51315265) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID51315265
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C(NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H22ClN3O3/c22-17-10-8-15(9-11-17)21(28)25-12-4-7-16(13-25)20(27)24-18(19(23)26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18H,4,7,12-13H2,(H2,23,26)(H,24,27)
InChIKeyRTZFMPPXRASXNZ-UHFFFAOYSA-N
XLogP2.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 51315265) is N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is NC(=O)C(NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is RTZFMPPXRASXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-10-8-15(9-11-17)21(28)25-12-4-7-16(13-25)20(27)24-18(19(23)26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18H,4,7,12-13H2,(H2,23,26)(H,24,27).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51315265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).