2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C24H27N5O4S — CID 55456553

IUPAC2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-18(30)19-4-6-22(7-5-19)34(32,33)29-11-8-20(9-12-29)24(31)28-15-13-27(14-16-28)23-21(17-25)3-2-10-26-23/h2-7,10,20H,8-9,11-16H2,1H3
InChIKeyZJFWRPRZNOBTCJ-UHFFFAOYSA-N
MW481.58 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55456553) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55456553
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-18(30)19-4-6-22(7-5-19)34(32,33)29-11-8-20(9-12-29)24(31)28-15-13-27(14-16-28)23-21(17-25)3-2-10-26-23/h2-7,10,20H,8-9,11-16H2,1H3
InChIKeyZJFWRPRZNOBTCJ-UHFFFAOYSA-N
XLogP1.91
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455840
2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455339
2-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455598
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 26440336
2-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455914
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 55567565
2-[4-(3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455428
ethyl 4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 42022539
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55456553) is 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZJFWRPRZNOBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-18(30)19-4-6-22(7-5-19)34(32,33)29-11-8-20(9-12-29)24(31)28-15-13-27(14-16-28)23-21(17-25)3-2-10-26-23/h2-7,10,20H,8-9,11-16H2,1H3.
What are the key properties of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 481.58 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55456553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).