[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone

C21H27N5O3S — CID 4839869

IUPAC[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C21H27N5O3S/c1-23-9-15-26(16-10-23)30(28,29)19-7-8-20(22-17-19)24-11-13-25(14-12-24)21(27)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3
InChIKeyLHTZXZRGWUCQCJ-UHFFFAOYSA-N
MW429.55 g/mol
LogP0.98
Rot. Bonds4

About [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone

[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone (PubChem CID 4839869) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone
PubChem CID4839869
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C21H27N5O3S/c1-23-9-15-26(16-10-23)30(28,29)19-7-8-20(22-17-19)24-11-13-25(14-12-24)21(27)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3
InChIKeyLHTZXZRGWUCQCJ-UHFFFAOYSA-N
XLogP0.98
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ipsapirone
CID 56971
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
Revospirone
CID 72024
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
Phenylcarbonyl piperazine, 3
CID 2741589
(3,5-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 912542
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
2-[4-(4-Pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydroisoquinolin-1-one
CID 44582113
2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 44582178

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone (CID 4839869) is [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone is CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)CC1.
What is the InChIKey of [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is LHTZXZRGWUCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-23-9-15-26(16-10-23)30(28,29)19-7-8-20(22-17-19)24-11-13-25(14-12-24)21(27)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3.
What are the key properties of [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone?
[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 429.55 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 4839869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).