[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone

C22H31N3O4S — CID 55567553

IUPAC[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H31N3O4S/c26-21(18-8-4-5-9-18)23-14-16-24(17-15-23)22(27)20-12-6-7-13-25(20)30(28,29)19-10-2-1-3-11-19/h1-3,10-11,18,20H,4-9,12-17H2
InChIKeyGJUINCZQHYAXAO-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.09
Rot. Bonds4

About [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone

[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 55567553) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID55567553
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H31N3O4S/c26-21(18-8-4-5-9-18)23-14-16-24(17-15-23)22(27)20-12-6-7-13-25(20)30(28,29)19-10-2-1-3-11-19/h1-3,10-11,18,20H,4-9,12-17H2
InChIKeyGJUINCZQHYAXAO-UHFFFAOYSA-N
XLogP2.09
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.09
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-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 163144259
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447550
1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42702670
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
CID 119592933
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone (CID 55567553) is [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is GJUINCZQHYAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c26-21(18-8-4-5-9-18)23-14-16-24(17-15-23)22(27)20-12-6-7-13-25(20)30(28,29)19-10-2-1-3-11-19/h1-3,10-11,18,20H,4-9,12-17H2.
What are the key properties of [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 433.57 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 55567553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).