3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C17H26N2O — CID 109014307

IUPAC3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-15-8-12-19(13-9-15)17(20)10-11-18(2)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyAUFLDZSVUGYYJC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 109014307) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID109014307
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-15-8-12-19(13-9-15)17(20)10-11-18(2)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyAUFLDZSVUGYYJC-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
3-tert-butyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699912
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119565
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 109014307) is 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCN(C)Cc2ccccc2)CC1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is AUFLDZSVUGYYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15-8-12-19(13-9-15)17(20)10-11-18(2)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109014307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).