1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

C14H25N5O — CID 72896844

IUPAC1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCc2n[nH]c(C)n2)C1
InChIInChI=1S/C14H25N5O/c1-4-19-9-5-7-14(3,10-19)13(20)15-8-6-12-16-11(2)17-18-12/h4-10H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyKWTHUCOZSOFYMR-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.89
Rot. Bonds5

About 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72896844) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID72896844
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCc2n[nH]c(C)n2)C1
InChIInChI=1S/C14H25N5O/c1-4-19-9-5-7-14(3,10-19)13(20)15-8-6-12-16-11(2)17-18-12/h4-10H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyKWTHUCOZSOFYMR-UHFFFAOYSA-N
XLogP0.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72868537
2-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72877738
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
cyclobutyl-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124043117
(6S)-2-cyclopentyl-8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96393573
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (CID 72896844) is 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is CCN1CCCC(C)(C(=O)NCCc2n[nH]c(C)n2)C1.
What is the InChIKey of 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is KWTHUCOZSOFYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19-9-5-7-14(3,10-19)13(20)15-8-6-12-16-11(2)17-18-12/h4-10H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72896844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).