4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide

C17H23N3O — CID 9472549

IUPAC4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-14-5-2-3-11-20(14)12-4-10-19-17(21)16-8-6-15(13-18)7-9-16/h6-9,14H,2-5,10-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyGVTVBXYOJPUGME-CQSZACIVSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds5

About 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide

4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 9472549) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID9472549
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-14-5-2-3-11-20(14)12-4-10-19-17(21)16-8-6-15(13-18)7-9-16/h6-9,14H,2-5,10-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyGVTVBXYOJPUGME-CQSZACIVSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
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-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (CID 9472549) is 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@@H]1CCCCN1CCCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is GVTVBXYOJPUGME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-5-2-3-11-20(14)12-4-10-19-17(21)16-8-6-15(13-18)7-9-16/h6-9,14H,2-5,10-12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.55, 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-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 9472549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).