2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C24H31N3O2 — CID 8729179

IUPAC2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)18-24(29)27-14-12-21(13-15-27)16-20-6-4-3-5-7-20/h3-11,21H,12-18H2,1-2H3,(H,25,28)
InChIKeyIRFPQSAEYQVUCE-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.35
Rot. Bonds7

About 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8729179) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8729179
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)18-24(29)27-14-12-21(13-15-27)16-20-6-4-3-5-7-20/h3-11,21H,12-18H2,1-2H3,(H,25,28)
InChIKeyIRFPQSAEYQVUCE-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 16555174
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 126009765
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
tert-butyl 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 51131918

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8729179) is 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is IRFPQSAEYQVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)18-24(29)27-14-12-21(13-15-27)16-20-6-4-3-5-7-20/h3-11,21H,12-18H2,1-2H3,(H,25,28).
What are the key properties of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).