[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone

C25H32N4O3S — CID 71252517

IUPAC[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(CCN3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C25H32N4O3S/c1-19-17-23(21-7-8-21)18-26-24(19)27-12-14-28(15-13-27)25(30)22-5-3-20(4-6-22)9-11-29-10-2-16-33(29,31)32/h3-6,17-18,21H,2,7-16H2,1H3
InChIKeyMJEOAHCIRVXATJ-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.81
Rot. Bonds6

About [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone (PubChem CID 71252517) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
PubChem CID71252517
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(CCN3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C25H32N4O3S/c1-19-17-23(21-7-8-21)18-26-24(19)27-12-14-28(15-13-27)25(30)22-5-3-20(4-6-22)9-11-29-10-2-16-33(29,31)32/h3-6,17-18,21H,2,7-16H2,1H3
InChIKeyMJEOAHCIRVXATJ-UHFFFAOYSA-N
XLogP2.81
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone
CID 71252357
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 162085233
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde
CID 174684606
(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
CID 71251880
(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
CID 141370659
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione
CID 71252332
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(1S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
CID 71253066
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone?
The IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone (CID 71252517) is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone.
What is the SMILES notation for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone?
The canonical SMILES for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(CCN3CCCS3(=O)=O)cc2)CC1.
What is the InChIKey of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone?
The InChIKey is MJEOAHCIRVXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-19-17-23(21-7-8-21)18-26-24(19)27-12-14-28(15-13-27)25(30)22-5-3-20(4-6-22)9-11-29-10-2-16-33(29,31)32/h3-6,17-18,21H,2,7-16H2,1H3.
What are the key properties of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone?
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone has a molecular weight of 468.62 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone is sourced from PubChem (CID 71252517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).