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

C19H28N2O3 — CID 113005518

IUPAC1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)8-11-20-18(22)15-9-12-21(13-10-15)19(23)16-4-6-17(24-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,20,22)
InChIKeyCNVLSVNKIITBNR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.71
Rot. Bonds6

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

1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 113005518) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID113005518
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)8-11-20-18(22)15-9-12-21(13-10-15)19(23)16-4-6-17(24-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,20,22)
InChIKeyCNVLSVNKIITBNR-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42694886
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide (CID 113005518) is 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is CNVLSVNKIITBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)8-11-20-18(22)15-9-12-21(13-10-15)19(23)16-4-6-17(24-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,20,22).
What are the key properties of 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).