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

C19H31N5O2 — CID 121118070

IUPAC4-cyclopentyl-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(C2CCCC2)c1=O
InChIInChI=1S/C19H31N5O2/c1-21-19(26)24(16-6-2-3-7-16)18(20-21)15-8-12-22(13-9-15)14-17(25)23-10-4-5-11-23/h15-16H,2-14H2,1H3
InChIKeyNPLMCOVQYYGGRV-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.50
Rot. Bonds4

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

4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121118070) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121118070
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-cyclopentyl-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(C2CCCC2)c1=O
InChIInChI=1S/C19H31N5O2/c1-21-19(26)24(16-6-2-3-7-16)18(20-21)15-8-12-22(13-9-15)14-17(25)23-10-4-5-11-23/h15-16H,2-14H2,1H3
InChIKeyNPLMCOVQYYGGRV-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 121118070) is 4-cyclopentyl-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-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-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(C2CCCC2)c1=O.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is NPLMCOVQYYGGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-21-19(26)24(16-6-2-3-7-16)18(20-21)15-8-12-22(13-9-15)14-17(25)23-10-4-5-11-23/h15-16H,2-14H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.50, 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-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121118070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).