3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

C16H30N2O4S — CID 56803132

IUPAC3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O4S/c1-16(2,20)13-17-8-10-18(11-9-17)15(19)7-12-23(21,22)14-5-3-4-6-14/h14,20H,3-13H2,1-2H3
InChIKeyKIQRKFFBKZMXOL-UHFFFAOYSA-N
MW346.49 g/mol
LogP0.65
Rot. Bonds6

About 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 56803132) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID56803132
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O4S/c1-16(2,20)13-17-8-10-18(11-9-17)15(19)7-12-23(21,22)14-5-3-4-6-14/h14,20H,3-13H2,1-2H3
InChIKeyKIQRKFFBKZMXOL-UHFFFAOYSA-N
XLogP0.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546220
1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119412753
3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580044
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 71941305
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95291855
3-cyclopentylsulfonyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119398208
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82689328
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (CID 56803132) is 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is CC(C)(O)CN1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is KIQRKFFBKZMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-16(2,20)13-17-8-10-18(11-9-17)15(19)7-12-23(21,22)14-5-3-4-6-14/h14,20H,3-13H2,1-2H3.
What are the key properties of 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 346.49 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56803132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).