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

C17H23N5O — CID 95153262

IUPACN-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-14(2)8-15(7-13)20-17(23)10-21-5-3-4-16(9-21)22-12-18-11-19-22/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyRIZSLHBOZYCLDK-MRXNPFEDSA-N
MW313.41 g/mol
LogP2.17
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 95153262) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
PubChem CID95153262
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-14(2)8-15(7-13)20-17(23)10-21-5-3-4-16(9-21)22-12-18-11-19-22/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyRIZSLHBOZYCLDK-MRXNPFEDSA-N
XLogP2.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]-2-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 100623739
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 119039409
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide (CID 95153262) is N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is RIZSLHBOZYCLDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-14(2)8-15(7-13)20-17(23)10-21-5-3-4-16(9-21)22-12-18-11-19-22/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95153262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).