1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one

C13H24N2O — CID 115277271

IUPAC1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
SMILESNC1CCCN(C(=O)CCCC2CCC2)C1
InChIInChI=1S/C13H24N2O/c14-12-7-3-9-15(10-12)13(16)8-2-6-11-4-1-5-11/h11-12H,1-10,14H2
InChIKeyUVCHJRLDRIANLZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one

1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one (PubChem CID 115277271) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
PubChem CID115277271
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
SMILESNC1CCCN(C(=O)CCCC2CCC2)C1
InChIInChI=1S/C13H24N2O/c14-12-7-3-9-15(10-12)13(16)8-2-6-11-4-1-5-11/h11-12H,1-10,14H2
InChIKeyUVCHJRLDRIANLZ-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115276919
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one (CID 115277271) is 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one is NC1CCCN(C(=O)CCCC2CCC2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one?
The InChIKey is UVCHJRLDRIANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12-7-3-9-15(10-12)13(16)8-2-6-11-4-1-5-11/h11-12H,1-10,14H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one?
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one is sourced from PubChem (CID 115277271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).