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

C26H28N2O2 — CID 55430075

IUPAC1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C26H28N2O2/c29-25(27-17-7-11-20-9-2-1-3-10-20)22-14-8-18-28(19-22)26(30)24-16-6-13-21-12-4-5-15-23(21)24/h1-6,9-10,12-13,15-16,22H,7-8,11,14,17-19H2,(H,27,29)
InChIKeyRCFNHBSEAPXMKG-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.44
Rot. Bonds6

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

1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 55430075) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID55430075
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C26H28N2O2/c29-25(27-17-7-11-20-9-2-1-3-10-20)22-14-8-18-28(19-22)26(30)24-16-6-13-21-12-4-5-15-23(21)24/h1-6,9-10,12-13,15-16,22H,7-8,11,14,17-19H2,(H,27,29)
InChIKeyRCFNHBSEAPXMKG-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
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
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
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
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 55430075) is 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is RCFNHBSEAPXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-25(27-17-7-11-20-9-2-1-3-10-20)22-14-8-18-28(19-22)26(30)24-16-6-13-21-12-4-5-15-23(21)24/h1-6,9-10,12-13,15-16,22H,7-8,11,14,17-19H2,(H,27,29).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 55430075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).