2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

C15H18ClN3O — CID 63625205

IUPAC2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-12(10-13)11-15(20)18-14-4-7-19(8-5-14)9-6-17/h1-3,10,14H,4-5,7-9,11H2,(H,18,20)
InChIKeyJCYDQUKPEBSRFS-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (PubChem CID 63625205) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
PubChem CID63625205
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-12(10-13)11-15(20)18-14-4-7-19(8-5-14)9-6-17/h1-3,10,14H,4-5,7-9,11H2,(H,18,20)
InChIKeyJCYDQUKPEBSRFS-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-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63626961
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753990

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (CID 63625205) is 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is N#CCN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The InChIKey is JCYDQUKPEBSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-2-12(10-13)11-15(20)18-14-4-7-19(8-5-14)9-6-17/h1-3,10,14H,4-5,7-9,11H2,(H,18,20).
What are the key properties of 2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
2-(3-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-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63625205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).