N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C16H22ClN3O2 — CID 71840487

IUPACN-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-2-15(21)18-10-12-6-5-9-20(11-12)16(22)19-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOCIKLSJFZSRLKZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.11
Rot. Bonds4

About N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840487) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840487
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-2-15(21)18-10-12-6-5-9-20(11-12)16(22)19-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOCIKLSJFZSRLKZ-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840487) is N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is OCIKLSJFZSRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-2-15(21)18-10-12-6-5-9-20(11-12)16(22)19-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).