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

C12H20N6O2 — CID 154774046

IUPAC1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H20N6O2/c1-2-17-8-15-16-10(17)7-14-12(20)18-5-3-9(4-6-18)11(13)19/h8-9H,2-7H2,1H3,(H2,13,19)(H,14,20)
InChIKeyJQJZTTAESAUQBH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.30
Rot. Bonds4

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

1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 154774046) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID154774046
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H20N6O2/c1-2-17-8-15-16-10(17)7-14-12(20)18-5-3-9(4-6-18)11(13)19/h8-9H,2-7H2,1H3,(H2,13,19)(H,14,20)
InChIKeyJQJZTTAESAUQBH-UHFFFAOYSA-N
XLogP-0.30
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106303746
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320520
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 106303808

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide (CID 154774046) is 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide is CCn1cnnc1CNC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is JQJZTTAESAUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-17-8-15-16-10(17)7-14-12(20)18-5-3-9(4-6-18)11(13)19/h8-9H,2-7H2,1H3,(H2,13,19)(H,14,20).
What are the key properties of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 154774046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).