2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

C15H18ClN3O — CID 63626961

IUPAC2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O/c16-14-4-2-1-3-12(14)11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20)
InChIKeyJRQNGXCDJBMEQU-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (PubChem CID 63626961) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
PubChem CID63626961
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O/c16-14-4-2-1-3-12(14)11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20)
InChIKeyJRQNGXCDJBMEQU-UHFFFAOYSA-N
XLogP1.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbenzamide
CID 115694687
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-2,5-difluorobenzamide
CID 82772011
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (CID 63626961) is 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is N#CCN1CCC(NC(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The InChIKey is JRQNGXCDJBMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-14-4-2-1-3-12(14)11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63626961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).