3-cyano-N-piperidin-4-yl-N-propylbenzamide

C16H21N3O — CID 60806422

IUPAC3-cyano-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C#N)c1)C1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-10-19(15-6-8-18-9-7-15)16(20)14-5-3-4-13(11-14)12-17/h3-5,11,15,18H,2,6-10H2,1H3
InChIKeyFYFZQUASLMFFDN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds4

About 3-cyano-N-piperidin-4-yl-N-propylbenzamide

3-cyano-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 60806422) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyano-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-cyano-N-piperidin-4-yl-N-propylbenzamide
PubChem CID60806422
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-cyano-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C#N)c1)C1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-10-19(15-6-8-18-9-7-15)16(20)14-5-3-4-13(11-14)12-17/h3-5,11,15,18H,2,6-10H2,1H3
InChIKeyFYFZQUASLMFFDN-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-cyano-N-piperidin-4-yl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-cyano-N-piperidin-4-yl-N-propylbenzamide (CID 60806422) is 3-cyano-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-cyano-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-cyano-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(C#N)c1)C1CCNCC1.
What is the InChIKey of 3-cyano-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is FYFZQUASLMFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-10-19(15-6-8-18-9-7-15)16(20)14-5-3-4-13(11-14)12-17/h3-5,11,15,18H,2,6-10H2,1H3.
What are the key properties of 3-cyano-N-piperidin-4-yl-N-propylbenzamide?
3-cyano-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.16, 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-4-yl-N-propylbenzamide is sourced from PubChem (CID 60806422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).