N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C18H26N2O3 — CID 113002679

IUPACN-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-4-10-19-17(21)14-8-11-20(12-9-14)18(22)15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyHXVGZVQLBJSQPP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds6

About N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 113002679) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID113002679
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-4-10-19-17(21)14-8-11-20(12-9-14)18(22)15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyHXVGZVQLBJSQPP-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
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-pentylpiperidine-4-carboxamide
CID 113005591
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
(3R)-1-(3-methoxybenzoyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 92635325
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 131894462
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
CID 86985203
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246723
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 113002679) is N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is HXVGZVQLBJSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-4-10-19-17(21)14-8-11-20(12-9-14)18(22)15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).