N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

C17H23N5O — CID 126799165

IUPACN-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCCC2c2ncn[nH]2)c1
InChIInChI=1S/C17H23N5O/c1-2-13-6-5-7-14(10-13)20-16(23)11-22-9-4-3-8-15(22)17-18-12-19-21-17/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyQIQMQCAKUABUAA-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.53
Rot. Bonds5

About N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 126799165) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID126799165
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCCC2c2ncn[nH]2)c1
InChIInChI=1S/C17H23N5O/c1-2-13-6-5-7-14(10-13)20-16(23)11-22-9-4-3-8-15(22)17-18-12-19-21-17/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyQIQMQCAKUABUAA-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
CID 136585664
N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106782
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 126799165) is N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCCCC2c2ncn[nH]2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is QIQMQCAKUABUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-13-6-5-7-14(10-13)20-16(23)11-22-9-4-3-8-15(22)17-18-12-19-21-17/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,20,23)(H,18,19,21).
What are the key properties of N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 126799165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).