1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide

C19H28N2O3 — CID 113005591

IUPAC1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-5-12-20-18(22)15-10-13-21(14-11-15)19(23)16-6-8-17(24-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,22)
InChIKeyAKGRFRWGLJJGRG-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds7

About 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide

1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 113005591) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
PubChem CID113005591
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-5-12-20-18(22)15-10-13-21(14-11-15)19(23)16-6-8-17(24-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,22)
InChIKeyAKGRFRWGLJJGRG-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
CID 86985203
1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 56817809
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide (CID 113005591) is 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is AKGRFRWGLJJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-5-12-20-18(22)15-10-13-21(14-11-15)19(23)16-6-8-17(24-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide?
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 113005591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).