1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one

C13H25NO — CID 166753074

IUPAC1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCC(C)C)CC1
InChIInChI=1S/C13H25NO/c1-4-13(15)14-9-7-12(8-10-14)6-5-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQPVGJTMKBSNBIS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one

1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one (PubChem CID 166753074) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
PubChem CID166753074
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCC(C)C)CC1
InChIInChI=1S/C13H25NO/c1-4-13(15)14-9-7-12(8-10-14)6-5-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQPVGJTMKBSNBIS-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
1-[4-(1-bromoethyl)piperidin-1-yl]propan-1-one
CID 106839427
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
CID 39237865
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one (CID 166753074) is 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CCC(C)C)CC1.
What is the InChIKey of 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one?
The InChIKey is QPVGJTMKBSNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(15)14-9-7-12(8-10-14)6-5-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one?
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 166753074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).