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

C13H17ClN2O — CID 21105013

IUPAC1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-4-10(8-11)9-16-7-2-1-6-12(16)13(15)17/h3-5,8,12H,1-2,6-7,9H2,(H2,15,17)
InChIKeyXPVFZTLYIGEBQV-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.18
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 21105013) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
PubChem CID21105013
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-4-10(8-11)9-16-7-2-1-6-12(16)13(15)17/h3-5,8,12H,1-2,6-7,9H2,(H2,15,17)
InChIKeyXPVFZTLYIGEBQV-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 11234325
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 60560360
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[(3-carbamothioyl-4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 107879282
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide (CID 21105013) is 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is XPVFZTLYIGEBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-5-3-4-10(8-11)9-16-7-2-1-6-12(16)13(15)17/h3-5,8,12H,1-2,6-7,9H2,(H2,15,17).
What are the key properties of 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide?
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 21105013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).