1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide

C21H32N2O4 — CID 49403077

IUPAC1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)N2CCCC(C(=O)NCCC)C2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-4-6-13-27-18-10-9-16(14-19(18)26-3)21(25)23-12-7-8-17(15-23)20(24)22-11-5-2/h9-10,14,17H,4-8,11-13,15H2,1-3H3,(H,22,24)
InChIKeyCOTPWNDISGQQOF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.25
Rot. Bonds9

About 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide

1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide (PubChem CID 49403077) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
PubChem CID49403077
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)N2CCCC(C(=O)NCCC)C2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-4-6-13-27-18-10-9-16(14-19(18)26-3)21(25)23-12-7-8-17(15-23)20(24)22-11-5-2/h9-10,14,17H,4-8,11-13,15H2,1-3H3,(H,22,24)
InChIKeyCOTPWNDISGQQOF-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119594927
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46441561
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide (CID 49403077) is 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide is CCCCOc1ccc(C(=O)N2CCCC(C(=O)NCCC)C2)cc1OC.
What is the InChIKey of 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is COTPWNDISGQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-6-13-27-18-10-9-16(14-19(18)26-3)21(25)23-12-7-8-17(15-23)20(24)22-11-5-2/h9-10,14,17H,4-8,11-13,15H2,1-3H3,(H,22,24).
What are the key properties of 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide?
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49403077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).