N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide

C24H30N2O3 — CID 55913747

IUPACN-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-22-12-10-20(11-13-22)23(27)8-5-9-24(28)25-21-14-16-26(17-15-21)18-19-6-3-2-4-7-19/h2-4,6-7,10-13,21H,5,8-9,14-18H2,1H3,(H,25,28)
InChIKeyNPQGCOPKWYZGOV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.83
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 55913747) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID55913747
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-22-12-10-20(11-13-22)23(27)8-5-9-24(28)25-21-14-16-26(17-15-21)18-19-6-3-2-4-7-19/h2-4,6-7,10-13,21H,5,8-9,14-18H2,1H3,(H,25,28)
InChIKeyNPQGCOPKWYZGOV-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
CID 55909333
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 175194789
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 55913747) is N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is NPQGCOPKWYZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-22-12-10-20(11-13-22)23(27)8-5-9-24(28)25-21-14-16-26(17-15-21)18-19-6-3-2-4-7-19/h2-4,6-7,10-13,21H,5,8-9,14-18H2,1H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 394.52 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 55913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).