3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide

C15H27N5O2 — CID 91905132

IUPAC3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)NCC(C)C)C2)nn(C)c1=O
InChIInChI=1S/C15H27N5O2/c1-5-20-13(17-18(4)15(20)22)12-7-6-8-19(10-12)14(21)16-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,21)
InChIKeyVAAJZABAPYSCMJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.15
Rot. Bonds4

About 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide

3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 91905132) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID91905132
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)NCC(C)C)C2)nn(C)c1=O
InChIInChI=1S/C15H27N5O2/c1-5-20-13(17-18(4)15(20)22)12-7-6-8-19(10-12)14(21)16-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,21)
InChIKeyVAAJZABAPYSCMJ-UHFFFAOYSA-N
XLogP1.15
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopropyl)-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 39869105
4-Cyclopentyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820472
4-Ethyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820476
N-ethyl-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 110196075
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-(propan-2-YL)piperidine-1-carboxamide
CID 110196076
4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 71756222
1-(piperidin-4-yl)-3-(propan-2-yl)-1H-1,2,4-triazol-5-ol hydrochloride
CID 137245282
4-methyl-3-(5-methylpiperidin-3-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 137944260
3-(Piperidin-3-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81487694
4-Ethyl-5-(piperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 81488374
4-(2-Methoxyethyl)-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 83284141
4-Cyclopentyl-1-methyl-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820415

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide (CID 91905132) is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide is CCn1c(C2CCCN(C(=O)NCC(C)C)C2)nn(C)c1=O.
What is the InChIKey of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is VAAJZABAPYSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-5-20-13(17-18(4)15(20)22)12-7-6-8-19(10-12)14(21)16-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,21).
What are the key properties of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide?
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 91905132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).