N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C25H23N3O2 — CID 55429914

IUPACN-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H23N3O2/c26-15-14-18-10-12-21(13-11-18)27-24(29)20-7-4-16-28(17-20)25(30)23-9-3-6-19-5-1-2-8-22(19)23/h1-3,5-6,8-13,20H,4,7,14,16-17H2,(H,27,29)
InChIKeyYOVVEGUWSBGKTR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.40
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 55429914) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID55429914
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H23N3O2/c26-15-14-18-10-12-21(13-11-18)27-24(29)20-7-4-16-28(17-20)25(30)23-9-3-6-19-5-1-2-8-22(19)23/h1-3,5-6,8-13,20H,4,7,14,16-17H2,(H,27,29)
InChIKeyYOVVEGUWSBGKTR-UHFFFAOYSA-N
XLogP4.40
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-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

N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 75861710
cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 32609032
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 55429914) is N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is N#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is YOVVEGUWSBGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-15-14-18-10-12-21(13-11-18)27-24(29)20-7-4-16-28(17-20)25(30)23-9-3-6-19-5-1-2-8-22(19)23/h1-3,5-6,8-13,20H,4,7,14,16-17H2,(H,27,29).
What are the key properties of N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55429914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).