4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C13H19N5O2 — CID 78982839

IUPAC4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCn1cnnc1C1CCCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C13H19N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)10-5-11(19)14-6-10/h8-10H,2-7H2,1H3,(H,14,19)
InChIKeyHZDZIRIJRARJDZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.34
Rot. Bonds2

About 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 78982839) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID78982839
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCn1cnnc1C1CCCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C13H19N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)10-5-11(19)14-6-10/h8-10H,2-7H2,1H3,(H,14,19)
InChIKeyHZDZIRIJRARJDZ-UHFFFAOYSA-N
XLogP-0.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 52536774
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
(1-aminocyclohexyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60964072
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
5-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79199865
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
5-chloro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 54876034
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 78982839) is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cn1cnnc1C1CCCN(C(=O)C2CNC(=O)C2)C1.
What is the InChIKey of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HZDZIRIJRARJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)10-5-11(19)14-6-10/h8-10H,2-7H2,1H3,(H,14,19).
What are the key properties of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 78982839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).