3-(1-butanoylpiperidin-4-yl)propanamide

C12H22N2O2 — CID 166192887

IUPAC3-(1-butanoylpiperidin-4-yl)propanamide
SMILESCCCC(=O)N1CCC(CCC(N)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-2-3-12(16)14-8-6-10(7-9-14)4-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeySVRVIQUSUBOSJY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds5

About 3-(1-butanoylpiperidin-4-yl)propanamide

3-(1-butanoylpiperidin-4-yl)propanamide (PubChem CID 166192887) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(1-butanoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-butanoylpiperidin-4-yl)propanamide
PubChem CID166192887
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(1-butanoylpiperidin-4-yl)propanamide
SMILESCCCC(=O)N1CCC(CCC(N)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-2-3-12(16)14-8-6-10(7-9-14)4-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeySVRVIQUSUBOSJY-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropylpropanamide
CID 53414720
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
CID 141119386
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
CID 53150958

Frequently Asked Questions

What is the IUPAC name of 3-(1-butanoylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1-butanoylpiperidin-4-yl)propanamide (CID 166192887) is 3-(1-butanoylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1-butanoylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1-butanoylpiperidin-4-yl)propanamide is CCCC(=O)N1CCC(CCC(N)=O)CC1.
What is the InChIKey of 3-(1-butanoylpiperidin-4-yl)propanamide?
The InChIKey is SVRVIQUSUBOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-12(16)14-8-6-10(7-9-14)4-5-11(13)15/h10H,2-9H2,1H3,(H2,13,15).
What are the key properties of 3-(1-butanoylpiperidin-4-yl)propanamide?
3-(1-butanoylpiperidin-4-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butanoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 166192887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).