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

C19H33N5O2 — CID 56703835

IUPAC4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)CCCN3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C19H33N5O2/c1-3-24-17(20-21(2)19(24)26)15-16-8-13-23(14-9-16)18(25)7-6-12-22-10-4-5-11-22/h16H,3-15H2,1-2H3
InChIKeyVDCXLNPPDIEMCZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.26
Rot. Bonds7

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

4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56703835) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56703835
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)CCCN3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C19H33N5O2/c1-3-24-17(20-21(2)19(24)26)15-16-8-13-23(14-9-16)18(25)7-6-12-22-10-4-5-11-22/h16H,3-15H2,1-2H3
InChIKeyVDCXLNPPDIEMCZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-Ethyl-2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 110196077
8-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191764
4-ethyl-5-{1-[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56759151
3-(1-acetylpiperidin-4-yl)-4-cyclopentyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 71793147
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
4-ethyl-5-{1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50985316
2-Isobutyl-8-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72860753
3-(1-butyrylpiperidin-4-yl)-4-cyclopropyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90540615
4-cyclopropyl-1-methyl-3-(1-pentanoylpiperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90540618
4-cyclopropyl-1-methyl-3-(1-pivaloylpiperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90540619
4-cyclopropyl-1-methyl-3-(1-(3-methylbutanoyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90540620
4-cyclopropyl-3-(1-(3,3-dimethylbutanoyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90540621

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56703835) is 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)CCCN3CCCC3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is VDCXLNPPDIEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-24-17(20-21(2)19(24)26)15-16-8-13-23(14-9-16)18(25)7-6-12-22-10-4-5-11-22/h16H,3-15H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 363.51 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).