4-cyano-N-(3-piperidin-1-ylpropyl)benzamide

C16H21N3O — CID 11608750

IUPAC4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c17-13-14-5-7-15(8-6-14)16(20)18-9-4-12-19-10-2-1-3-11-19/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyAYVVVVWRKNKIKO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds5

About 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide

4-cyano-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 11608750) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID11608750
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c17-13-14-5-7-15(8-6-14)16(20)18-9-4-12-19-10-2-1-3-11-19/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyAYVVVVWRKNKIKO-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide (CID 11608750) is 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide is N#Cc1ccc(C(=O)NCCCN2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is AYVVVVWRKNKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-14-5-7-15(8-6-14)16(20)18-9-4-12-19-10-2-1-3-11-19/h5-8H,1-4,9-12H2,(H,18,20).
What are the key properties of 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide?
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 11608750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).