4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one

C17H27N5O2 — CID 90542982

IUPAC4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(CC(=O)N3CCCC3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H27N5O2/c1-19-17(24)22(14-4-5-14)16(18-19)13-6-10-20(11-7-13)12-15(23)21-8-2-3-9-21/h13-14H,2-12H2,1H3
InChIKeyCHHWBWPQLSIWRR-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.72
Rot. Bonds4

About 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 90542982) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID90542982
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(CC(=O)N3CCCC3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H27N5O2/c1-19-17(24)22(14-4-5-14)16(18-19)13-6-10-20(11-7-13)12-15(23)21-8-2-3-9-21/h13-14H,2-12H2,1H3
InChIKeyCHHWBWPQLSIWRR-UHFFFAOYSA-N
XLogP0.72
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.72
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-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 90542982) is 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cn1nc(C2CCN(CC(=O)N3CCCC3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is CHHWBWPQLSIWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-19-17(24)22(14-4-5-14)16(18-19)13-6-10-20(11-7-13)12-15(23)21-8-2-3-9-21/h13-14H,2-12H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 333.44 g/mol, XLogP of 0.72, 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-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 90542982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).