1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one

C15H23N5O3S — CID 124880693

IUPAC1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C15H23N5O3S/c21-14-9-16-5-8-19(14)12-3-1-6-18(11-12)24(22,23)15-10-17-13-4-2-7-20(13)15/h10,12,16H,1-9,11H2/t12-/m0/s1
InChIKeyMPUHSDAEIYRDEG-LBPRGKRZSA-N
MW353.45 g/mol
LogP-0.59
Rot. Bonds3

About 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one

1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one (PubChem CID 124880693) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
PubChem CID124880693
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C15H23N5O3S/c21-14-9-16-5-8-19(14)12-3-1-6-18(11-12)24(22,23)15-10-17-13-4-2-7-20(13)15/h10,12,16H,1-9,11H2/t12-/m0/s1
InChIKeyMPUHSDAEIYRDEG-LBPRGKRZSA-N
XLogP-0.59
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712917
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891
(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120874470
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
CID 136561193
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875719
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
3-methoxy-4-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 120875722
1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one
CID 155937649

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one (CID 124880693) is 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one is O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1.
What is the InChIKey of 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one?
The InChIKey is MPUHSDAEIYRDEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O3S/c21-14-9-16-5-8-19(14)12-3-1-6-18(11-12)24(22,23)15-10-17-13-4-2-7-20(13)15/h10,12,16H,1-9,11H2/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one?
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one has a molecular weight of 353.45 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 124880693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).