1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one

C20H32N2O — CID 109032445

IUPAC1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-4-13-21(2)14-12-20(23)22-15-10-19(11-16-22)17-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3
InChIKeyYPYLYVMWKDJLFA-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.59
Rot. Bonds8

About 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one

1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one (PubChem CID 109032445) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
PubChem CID109032445
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-4-13-21(2)14-12-20(23)22-15-10-19(11-16-22)17-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3
InChIKeyYPYLYVMWKDJLFA-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one (CID 109032445) is 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one is CCCCN(C)CCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The InChIKey is YPYLYVMWKDJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-4-13-21(2)14-12-20(23)22-15-10-19(11-16-22)17-18-8-6-5-7-9-18/h5-9,19H,3-4,10-17H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one has a molecular weight of 316.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one is sourced from PubChem (CID 109032445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).