2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C24H31N3O2 — CID 40706204

IUPAC2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)24(29)18-27-14-12-21(13-15-27)16-20-6-4-3-5-7-20/h3-11,21H,12-18H2,1-2H3,(H,25,28)
InChIKeyAYWQAGSAZZSTOB-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.35
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 40706204) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID40706204
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)24(29)18-27-14-12-21(13-15-27)16-20-6-4-3-5-7-20/h3-11,21H,12-18H2,1-2H3,(H,25,28)
InChIKeyAYWQAGSAZZSTOB-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-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729179
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959400
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9258213
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8691402
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 40706204) is 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is AYWQAGSAZZSTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-8-10-22(11-9-19)25-23(28)17-26(2)24(29)18-27-14-12-21(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-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]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-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 40706204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).