1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

C24H30N4O4S — CID 42867461

IUPAC1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N4O4S/c1-18-8-9-22(24(30)27-16-14-26(15-17-27)19(2)29)23(25-18)20-10-12-28(13-11-20)33(31,32)21-6-4-3-5-7-21/h3-9,20H,10-17H2,1-2H3
InChIKeyFSOLLTNYTOZBGW-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42867461) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID42867461
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N4O4S/c1-18-8-9-22(24(30)27-16-14-26(15-17-27)19(2)29)23(25-18)20-10-12-28(13-11-20)33(31,32)21-6-4-3-5-7-21/h3-9,20H,10-17H2,1-2H3
InChIKeyFSOLLTNYTOZBGW-UHFFFAOYSA-N
XLogP2.26
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46068578
[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42868215
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868185
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-phenylpiperidine-1-carboxamide
CID 42867446
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92575414

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 42867461) is 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FSOLLTNYTOZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18-8-9-22(24(30)27-16-14-26(15-17-27)19(2)29)23(25-18)20-10-12-28(13-11-20)33(31,32)21-6-4-3-5-7-21/h3-9,20H,10-17H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 470.60 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42867461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).