1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one

C13H24N2O3S — CID 119380997

IUPAC1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
SMILESNC1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c14-11-4-3-8-15(10-11)13(16)7-9-19(17,18)12-5-1-2-6-12/h11-12H,1-10,14H2
InChIKeyXPTDZEKUEWDYPG-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.68
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one

1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one (PubChem CID 119380997) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
PubChem CID119380997
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
SMILESNC1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c14-11-4-3-8-15(10-11)13(16)7-9-19(17,18)12-5-1-2-6-12/h11-12H,1-10,14H2
InChIKeyXPTDZEKUEWDYPG-UHFFFAOYSA-N
XLogP0.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119412753
3-cyclopentylsulfonyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119398208
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580044
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-(3-aminopyrrolidin-1-yl)-3-methylsulfonylpropan-1-one
CID 62068727
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one (CID 119380997) is 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one is NC1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The InChIKey is XPTDZEKUEWDYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c14-11-4-3-8-15(10-11)13(16)7-9-19(17,18)12-5-1-2-6-12/h11-12H,1-10,14H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one has a molecular weight of 288.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 119380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).