[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone

C23H29N3O3S — CID 1190427

IUPAC[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-9-3-1-4-10-20)22-13-7-8-14-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2/t22-/m0/s1
InChIKeyHDCVTGMPTXIULD-QFIPXVFZSA-N
MW427.57 g/mol
LogP2.57
Rot. Bonds5

About [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone

[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 1190427) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID1190427
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-9-3-1-4-10-20)22-13-7-8-14-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2/t22-/m0/s1
InChIKeyHDCVTGMPTXIULD-QFIPXVFZSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447550
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 43058782
(4-ethylpiperazin-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone
CID 2320019
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 20862264
3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 24730458
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 46510274

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone (CID 1190427) is [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone is O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is HDCVTGMPTXIULD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-9-3-1-4-10-20)22-13-7-8-14-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2/t22-/m0/s1.
What are the key properties of [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone?
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 1190427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).