N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C23H30N2O2 — CID 74627325

IUPACN-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-7-15-24-22(26)19-12-9-16-25(17-19)23(27)21-14-8-11-18-10-5-6-13-20(18)21/h5-6,8,10-11,13-14,19H,2-4,7,9,12,15-17H2,1H3,(H,24,26)
InChIKeyYQXAQDVCLDFEJY-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.39
Rot. Bonds7

About N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 74627325) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID74627325
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-7-15-24-22(26)19-12-9-16-25(17-19)23(27)21-14-8-11-18-10-5-6-13-20(18)21/h5-6,8,10-11,13-14,19H,2-4,7,9,12,15-17H2,1H3,(H,24,26)
InChIKeyYQXAQDVCLDFEJY-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexyl-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-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
N-hexyl-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 60608535
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 74627325) is N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CCCCCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is YQXAQDVCLDFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-4-7-15-24-22(26)19-12-9-16-25(17-19)23(27)21-14-8-11-18-10-5-6-13-20(18)21/h5-6,8,10-11,13-14,19H,2-4,7,9,12,15-17H2,1H3,(H,24,26).
What are the key properties of N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 74627325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).