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

C21H35N5O2 — CID 121118068

IUPAC4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-16-7-13-25(14-8-16)19(27)15-24-11-9-17(10-12-24)20-22-23(2)21(28)26(20)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3
InChIKeyKBTZOBKMHISIMD-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.13
Rot. Bonds4

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

4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121118068) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121118068
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-16-7-13-25(14-8-16)19(27)15-24-11-9-17(10-12-24)20-22-23(2)21(28)26(20)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3
InChIKeyKBTZOBKMHISIMD-UHFFFAOYSA-N
XLogP2.13
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 121118068) is 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one is CC1CCN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is KBTZOBKMHISIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-16-7-13-25(14-8-16)19(27)15-24-11-9-17(10-12-24)20-22-23(2)21(28)26(20)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 389.54 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121118068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).