4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C22H30N4O3 — CID 121118087

IUPAC4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOc1ccc(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-24-22(28)26(18-5-3-4-6-18)21(23-24)17-11-13-25(14-12-17)15-20(27)16-7-9-19(29-2)10-8-16/h7-10,17-18H,3-6,11-15H2,1-2H3
InChIKeyZNLSPJRNSUYQGI-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.77
Rot. Bonds6

About 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 121118087) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID121118087
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOc1ccc(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-24-22(28)26(18-5-3-4-6-18)21(23-24)17-11-13-25(14-12-17)15-20(27)16-7-9-19(29-2)10-8-16/h7-10,17-18H,3-6,11-15H2,1-2H3
InChIKeyZNLSPJRNSUYQGI-UHFFFAOYSA-N
XLogP2.77
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 121118020
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
CID 73167716
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methoxyphenyl)ethanone
CID 63151115
ethyl 4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxobutanoate
CID 90542992
1-(4-chlorophenyl)-4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 90540603
N-(3-chloro-4-fluorophenyl)-2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118010
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
ethyl 4-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]piperazine-1-carboxylate
CID 90542981
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 121118087) is 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is COc1ccc(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cc1.
What is the InChIKey of 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is ZNLSPJRNSUYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24-22(28)26(18-5-3-4-6-18)21(23-24)17-11-13-25(14-12-17)15-20(27)16-7-9-19(29-2)10-8-16/h7-10,17-18H,3-6,11-15H2,1-2H3.
What are the key properties of 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 398.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 121118087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).