4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile

C17H23N3O — CID 62029927

IUPAC4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
SMILESCCCN(CC(=O)c1ccc(C#N)cc1)C1CCNCC1
InChIInChI=1S/C17H23N3O/c1-2-11-20(16-7-9-19-10-8-16)13-17(21)15-5-3-14(12-18)4-6-15/h3-6,16,19H,2,7-11,13H2,1H3
InChIKeyYDMQBCITCJULEO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.20
Rot. Bonds6

About 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile

4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile (PubChem CID 62029927) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
PubChem CID62029927
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
SMILESCCCN(CC(=O)c1ccc(C#N)cc1)C1CCNCC1
InChIInChI=1S/C17H23N3O/c1-2-11-20(16-7-9-19-10-8-16)13-17(21)15-5-3-14(12-18)4-6-15/h3-6,16,19H,2,7-11,13H2,1H3
InChIKeyYDMQBCITCJULEO-UHFFFAOYSA-N
XLogP2.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
N-ethyl-N-phenyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119932706
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62036459

Frequently Asked Questions

What is the IUPAC name of 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile (CID 62029927) is 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile is CCCN(CC(=O)c1ccc(C#N)cc1)C1CCNCC1.
What is the InChIKey of 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile?
The InChIKey is YDMQBCITCJULEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-11-20(16-7-9-19-10-8-16)13-17(21)15-5-3-14(12-18)4-6-15/h3-6,16,19H,2,7-11,13H2,1H3.
What are the key properties of 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile?
4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile is sourced from PubChem (CID 62029927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).