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

C19H31N5O2 — CID 56708204

IUPAC4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)n[nH]c1=O
InChIInChI=1S/C19H31N5O2/c1-2-24-16(20-21-18(24)26)15-8-7-11-22(14-15)17(25)19(9-3-4-10-19)23-12-5-6-13-23/h15H,2-14H2,1H3,(H,21,26)
InChIKeyAVVAQBVVRZCMDZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.71
Rot. Bonds4

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

4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one (PubChem CID 56708204) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
PubChem CID56708204
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)n[nH]c1=O
InChIInChI=1S/C19H31N5O2/c1-2-24-16(20-21-18(24)26)15-8-7-11-22(14-15)17(25)19(9-3-4-10-19)23-12-5-6-13-23/h15H,2-14H2,1H3,(H,21,26)
InChIKeyAVVAQBVVRZCMDZ-UHFFFAOYSA-N
XLogP1.71
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(2-{4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 50963826
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 56396398
5-{1-[(1S*,4R*)-2-azabicyclo[2.2.1]hept-2-ylacetyl]piperidin-4-yl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56706752
2-({4-[(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
CID 56719422
N-[1-[3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]cyclopentyl]acetamide
CID 60292992
cyclopentyl-[2-[3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 60293220
(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 95223552
(2R)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 95223553
3-[1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 133137599
N-(3-oxo-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 177872271

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one (CID 56708204) is 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is AVVAQBVVRZCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-2-24-16(20-21-18(24)26)15-8-7-11-22(14-15)17(25)19(9-3-4-10-19)23-12-5-6-13-23/h15H,2-14H2,1H3,(H,21,26).
What are the key properties of 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 361.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56708204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).