N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C18H26N2O2 — CID 113118190

IUPACN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15-8-11-19(12-9-15)18(22)10-13-20(16(2)21)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
InChIKeyWPCZTBFJQHKTMY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113118190) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113118190
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15-8-11-19(12-9-15)18(22)10-13-20(16(2)21)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
InChIKeyWPCZTBFJQHKTMY-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119565
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
CID 120995809
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
3-tert-butyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699912
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113118190) is N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is WPCZTBFJQHKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15-8-11-19(12-9-15)18(22)10-13-20(16(2)21)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3.
What are the key properties of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113118190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).