1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide

C17H17N3O — CID 11514656

IUPAC1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C17H17N3O/c18-11-13-5-6-16(15-4-2-1-3-14(13)15)20-9-7-12(8-10-20)17(19)21/h1-6,12H,7-10H2,(H2,19,21)
InChIKeyDFTURVSJKWLGNV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.41
Rot. Bonds2

About 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide

1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 11514656) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID11514656
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C17H17N3O/c18-11-13-5-6-16(15-4-2-1-3-14(13)15)20-9-7-12(8-10-20)17(19)21/h1-6,12H,7-10H2,(H2,19,21)
InChIKeyDFTURVSJKWLGNV-UHFFFAOYSA-N
XLogP2.41
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide 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

2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350
5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid
CID 68964276
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 22132368
1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
CID 11594114
1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide
CID 162754024
1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
CID 21004405
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide (CID 11514656) is 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(N)=O)CC2)c2ccccc12.
What is the InChIKey of 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is DFTURVSJKWLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-11-13-5-6-16(15-4-2-1-3-14(13)15)20-9-7-12(8-10-20)17(19)21/h1-6,12H,7-10H2,(H2,19,21).
What are the key properties of 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide?
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11514656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).