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

C20H33N5O2 — CID 90542984

IUPAC4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-14-6-10-24(11-7-14)19(26)15(2)23-12-8-16(9-13-23)18-21-22(3)20(27)25(18)17-4-5-17/h14-17H,4-13H2,1-3H3
InChIKeyFXLOFKQCKFUNPO-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.74
Rot. Bonds4

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

4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 90542984) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID90542984
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-14-6-10-24(11-7-14)19(26)15(2)23-12-8-16(9-13-23)18-21-22(3)20(27)25(18)17-4-5-17/h14-17H,4-13H2,1-3H3
InChIKeyFXLOFKQCKFUNPO-UHFFFAOYSA-N
XLogP1.74
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.74
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-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 90542984) is 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one is CC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC1.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is FXLOFKQCKFUNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-14-6-10-24(11-7-14)19(26)15(2)23-12-8-16(9-13-23)18-21-22(3)20(27)25(18)17-4-5-17/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 375.52 g/mol, XLogP of 1.74, 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-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 90542984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).