4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one

C15H25N5O2 — CID 56718944

IUPAC4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCN2CCCC2=O)c1=O
InChIInChI=1S/C15H25N5O2/c1-2-19-14(12-5-3-7-16-11-12)17-20(15(19)22)10-9-18-8-4-6-13(18)21/h12,16H,2-11H2,1H3
InChIKeyRLGJRXPLLBGNIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.15
Rot. Bonds5

About 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one

4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one (PubChem CID 56718944) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
PubChem CID56718944
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCN2CCCC2=O)c1=O
InChIInChI=1S/C15H25N5O2/c1-2-19-14(12-5-3-7-16-11-12)17-20(15(19)22)10-9-18-8-4-6-13(18)21/h12,16H,2-11H2,1H3
InChIKeyRLGJRXPLLBGNIA-UHFFFAOYSA-N
XLogP0.15
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one with MolForge

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Related Compounds

N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(4-piperidinylcarbonyl)-3-piperidinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56710790
4-ethyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56723350
4-ethyl-2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50958883
3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-methylpropanamide
CID 50967863
3-methyl-2-(3-methylbutanoylamino)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55858340
4-(4-Ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide
CID 56722227
5-{1-[(1-aminocyclopropyl)carbonyl]-3-piperidinyl}-2-[2-(dimethylamino)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56756509
N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 62936485
4-isopropyl-1-methyl-3-(1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90541089
N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 91916541
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3R)-1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95217423

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one (CID 56718944) is 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one is CCn1c(C2CCCNC2)nn(CCN2CCCC2=O)c1=O.
What is the InChIKey of 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The InChIKey is RLGJRXPLLBGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-2-19-14(12-5-3-7-16-11-12)17-20(15(19)22)10-9-18-8-4-6-13(18)21/h12,16H,2-11H2,1H3.
What are the key properties of 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one has a molecular weight of 307.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 56718944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).