4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

C11H19N5O — CID 63128762

IUPAC4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2ncn[nH]2)CCNCC1
InChIInChI=1S/C11H19N5O/c1-2-11(3-5-12-6-4-11)10(17)13-7-9-14-8-15-16-9/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyYWMMHCLVVQGYIZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.20
Rot. Bonds4

About 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 63128762) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID63128762
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2ncn[nH]2)CCNCC1
InChIInChI=1S/C11H19N5O/c1-2-11(3-5-12-6-4-11)10(17)13-7-9-14-8-15-16-9/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyYWMMHCLVVQGYIZ-UHFFFAOYSA-N
XLogP0.20
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 64531930
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 63129181
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (CID 63128762) is 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is CCC1(C(=O)NCc2ncn[nH]2)CCNCC1.
What is the InChIKey of 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YWMMHCLVVQGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-11(3-5-12-6-4-11)10(17)13-7-9-14-8-15-16-9/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 63128762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).