[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone

C21H28N4O3S — CID 119034210

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cncn1C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C21H28N4O3S/c1-17-14-22-16-25(17)19-9-12-23(13-10-19)21(26)18-6-5-11-24(15-18)29(27,28)20-7-3-2-4-8-20/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3
InChIKeyUSVBFICXTJEXKS-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.46
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 119034210) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID119034210
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cncn1C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C21H28N4O3S/c1-17-14-22-16-25(17)19-9-12-23(13-10-19)21(26)18-6-5-11-24(15-18)29(27,28)20-7-3-2-4-8-20/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3
InChIKeyUSVBFICXTJEXKS-UHFFFAOYSA-N
XLogP2.46
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[(3S)-1-[1-(benzenesulfonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552892
[1-(benzenesulfonyl)piperidin-3-yl]-(4-prop-2-ynoxypiperidin-1-yl)methanone
CID 136524854
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942
[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 27151971
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 119034210) is [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone is Cc1cncn1C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is USVBFICXTJEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-17-14-22-16-25(17)19-9-12-23(13-10-19)21(26)18-6-5-11-24(15-18)29(27,28)20-7-3-2-4-8-20/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 416.55 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119034210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).