N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide

C13H23N5O — CID 126439698

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
SMILESCCN1CCC[C@H](CN(C)C(=O)Cn2ccnn2)C1
InChIInChI=1S/C13H23N5O/c1-3-17-7-4-5-12(10-17)9-16(2)13(19)11-18-8-6-14-15-18/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyGUJDODBJZPWNML-GFCCVEGCSA-N
MW265.36 g/mol
LogP0.47
Rot. Bonds5

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide (PubChem CID 126439698) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
PubChem CID126439698
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
SMILESCCN1CCC[C@H](CN(C)C(=O)Cn2ccnn2)C1
InChIInChI=1S/C13H23N5O/c1-3-17-7-4-5-12(10-17)9-16(2)13(19)11-18-8-6-14-15-18/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyGUJDODBJZPWNML-GFCCVEGCSA-N
XLogP0.47
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 91797106
2-Methyl-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]hexan-1-one
CID 121537186
1-(2,2-Dimethylpropyl)-3-[3-(triazol-1-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824241
(2,2,3,3-Tetramethylcyclopropyl)-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 132283879
1-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 164635501
N-methyl-2-(triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 126807037
4,4,4-Trifluoro-1-[4-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 132301634
1-[3,3-Dimethyl-4-(trifluoromethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 136535733
2-Fluoro-3-methyl-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]but-2-en-1-one
CID 137843812
1-(2-Methylpiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 42943025
N-cyclopentyl-N-ethyl-2-(triazol-1-yl)acetamide
CID 72104394
1-(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)-2,2-dimethylpropan-1-one
CID 76150913

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide (CID 126439698) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide is CCN1CCC[C@H](CN(C)C(=O)Cn2ccnn2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The InChIKey is GUJDODBJZPWNML-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-17-7-4-5-12(10-17)9-16(2)13(19)11-18-8-6-14-15-18/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 126439698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).