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

C19H31N5O2 — CID 90542980

IUPAC4-cyclopropyl-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)n3C3CC3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-14-5-11-23(12-6-14)17(25)13-22-9-7-15(8-10-22)18-20-21(2)19(26)24(18)16-3-4-16/h14-16H,3-13H2,1-2H3
InChIKeyKGLAYXHYARCWAD-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.35
Rot. Bonds4

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

4-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 90542980) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID90542980
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-cyclopropyl-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)n3C3CC3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-14-5-11-23(12-6-14)17(25)13-22-9-7-15(8-10-22)18-20-21(2)19(26)24(18)16-3-4-16/h14-16H,3-13H2,1-2H3
InChIKeyKGLAYXHYARCWAD-UHFFFAOYSA-N
XLogP1.35
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-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-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 90542980) is 4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)n3C3CC3)CC2)CC1.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is KGLAYXHYARCWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14-5-11-23(12-6-14)17(25)13-22-9-7-15(8-10-22)18-20-21(2)19(26)24(18)16-3-4-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-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 361.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-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 90542980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).