1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide

C23H30N2O2 — CID 55718134

IUPAC1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O2/c1-2-3-6-14-24-23(27)19-12-15-25(16-13-19)22(26)17-20-10-7-9-18-8-4-5-11-21(18)20/h4-5,7-11,19H,2-3,6,12-17H2,1H3,(H,24,27)
InChIKeyQGJAHZOLRLWEHH-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.93
Rot. Bonds7

About 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide

1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 55718134) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
PubChem CID55718134
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O2/c1-2-3-6-14-24-23(27)19-12-15-25(16-13-19)22(26)17-20-10-7-9-18-8-4-5-11-21(18)20/h4-5,7-11,19H,2-3,6,12-17H2,1H3,(H,24,27)
InChIKeyQGJAHZOLRLWEHH-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.93
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

1-[4-[[4-(hexylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906733
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide (CID 55718134) is 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is QGJAHZOLRLWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-6-14-24-23(27)19-12-15-25(16-13-19)22(26)17-20-10-7-9-18-8-4-5-11-21(18)20/h4-5,7-11,19H,2-3,6,12-17H2,1H3,(H,24,27).
What are the key properties of 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide?
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55718134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).