3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide

C17H23N3O — CID 106628943

IUPAC3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-13(2)20(12-15-6-4-8-19-11-15)17(21)16-7-3-5-14(9-16)10-18/h3,5,7,9,13,15,19H,4,6,8,11-12H2,1-2H3
InChIKeyJXOPCEHKMIXNMP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds4

About 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide

3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106628943) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106628943
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-13(2)20(12-15-6-4-8-19-11-15)17(21)16-7-3-5-14(9-16)10-18/h3,5,7,9,13,15,19H,4,6,8,11-12H2,1-2H3
InChIKeyJXOPCEHKMIXNMP-UHFFFAOYSA-N
XLogP2.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide (CID 106628943) is 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCCNC1)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is JXOPCEHKMIXNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)20(12-15-6-4-8-19-11-15)17(21)16-7-3-5-14(9-16)10-18/h3,5,7,9,13,15,19H,4,6,8,11-12H2,1-2H3.
What are the key properties of 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106628943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).