N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide

C14H18ClN3O2 — CID 108897742

IUPACN-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)NC(=O)C1CCNCC1
InChIInChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)9-17-14(20)18-13(19)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H2,17,18,19,20)
InChIKeyCYKDRNMUNDXUEW-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.67
Rot. Bonds3

About N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide (PubChem CID 108897742) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
PubChem CID108897742
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)NC(=O)C1CCNCC1
InChIInChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)9-17-14(20)18-13(19)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H2,17,18,19,20)
InChIKeyCYKDRNMUNDXUEW-UHFFFAOYSA-N
XLogP1.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
CID 108883600
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43327502
3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
CID 43146071
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide (CID 108897742) is N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)NC(=O)C1CCNCC1.
What is the InChIKey of N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide?
The InChIKey is CYKDRNMUNDXUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)9-17-14(20)18-13(19)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H2,17,18,19,20).
What are the key properties of N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide is sourced from PubChem (CID 108897742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).