3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

C25H34N4O4 — CID 46082207

IUPAC3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(-c2ccnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2)cc(OC)c1OC
InChIInChI=1S/C25H34N4O4/c1-31-21-16-19(17-22(32-2)24(21)33-3)20-10-11-26-25(27-20)29-14-12-28(13-15-29)23(30)9-8-18-6-4-5-7-18/h10-11,16-18H,4-9,12-15H2,1-3H3
InChIKeyDZQXKYJCLRSGAC-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.79
Rot. Bonds8

About 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 46082207) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID46082207
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(-c2ccnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2)cc(OC)c1OC
InChIInChI=1S/C25H34N4O4/c1-31-21-16-19(17-22(32-2)24(21)33-3)20-10-11-26-25(27-20)29-14-12-28(13-15-29)23(30)9-8-18-6-4-5-7-18/h10-11,16-18H,4-9,12-15H2,1-3H3
InChIKeyDZQXKYJCLRSGAC-UHFFFAOYSA-N
XLogP3.79
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

[4-[[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 155544938
3-cyclopentyl-1-[4-[2-(2,6-dimethoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 136514101
3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 5298372
2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 77089142
2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 46082158
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
CID 134115155
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
methyl 3-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropanoate
CID 46081694
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]hexan-1-one
CID 46082185
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 46082207) is 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is COc1cc(-c2ccnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2)cc(OC)c1OC.
What is the InChIKey of 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is DZQXKYJCLRSGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-31-21-16-19(17-22(32-2)24(21)33-3)20-10-11-26-25(27-20)29-14-12-28(13-15-29)23(30)9-8-18-6-4-5-7-18/h10-11,16-18H,4-9,12-15H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 454.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46082207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).