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

C12H21N5O — CID 114429118

IUPAC4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C12H21N5O/c1-2-9-3-5-13-10(7-9)12(18)14-6-4-11-15-8-16-17-11/h8-10,13H,2-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyAWCXBFLYQJBMAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.24
Rot. Bonds5

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

4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide (PubChem CID 114429118) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
PubChem CID114429118
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C12H21N5O/c1-2-9-3-5-13-10(7-9)12(18)14-6-4-11-15-8-16-17-11/h8-10,13H,2-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyAWCXBFLYQJBMAN-UHFFFAOYSA-N
XLogP0.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
4-ethyl-N-(4-hydroxybutyl)piperidine-2-carboxamide
CID 106841954
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119336701
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide (CID 114429118) is 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)NCCc2ncn[nH]2)C1.
What is the InChIKey of 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is AWCXBFLYQJBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-9-3-5-13-10(7-9)12(18)14-6-4-11-15-8-16-17-11/h8-10,13H,2-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide?
4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 114429118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).