2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide

C18H23N3O2 — CID 153387376

IUPAC2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-15(13-19)17(22)20-16-9-7-14(8-10-16)18(23)21-11-4-3-5-12-21/h7-10,15H,2-6,11-12H2,1H3,(H,20,22)
InChIKeyQXQBXYXQCCRKIP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds5

About 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide

2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide (PubChem CID 153387376) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide
PubChem CID153387376
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-15(13-19)17(22)20-16-9-7-14(8-10-16)18(23)21-11-4-3-5-12-21/h7-10,15H,2-6,11-12H2,1H3,(H,20,22)
InChIKeyQXQBXYXQCCRKIP-UHFFFAOYSA-N
XLogP3.19
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 62855932
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 107903159
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 94625699
2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667664
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide?
The IUPAC name of 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide (CID 153387376) is 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide?
The canonical SMILES for 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide is CCCC(C#N)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide?
The InChIKey is QXQBXYXQCCRKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-15(13-19)17(22)20-16-9-7-14(8-10-16)18(23)21-11-4-3-5-12-21/h7-10,15H,2-6,11-12H2,1H3,(H,20,22).
What are the key properties of 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide?
2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide has a molecular weight of 313.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 153387376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).