N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C16H20ClN5O — CID 8583209

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H20ClN5O/c1-12-4-2-3-7-21(12)9-16(23)20-14-8-13(17)5-6-15(14)22-11-18-10-19-22/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyCJUTZHVWMJOPGQ-GFCCVEGCSA-N
MW333.82 g/mol
LogP2.73
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8583209) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID8583209
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H20ClN5O/c1-12-4-2-3-7-21(12)9-16(23)20-14-8-13(17)5-6-15(14)22-11-18-10-19-22/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyCJUTZHVWMJOPGQ-GFCCVEGCSA-N
XLogP2.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43001142
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8686385
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9116505
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125160828
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648109
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[(4-cyanophenyl)methyl]-2-methylpiperazin-1-yl]acetamide
CID 102561515
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78828711
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 40952874
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002578
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 154858669

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 8583209) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is CJUTZHVWMJOPGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-12-4-2-3-7-21(12)9-16(23)20-14-8-13(17)5-6-15(14)22-11-18-10-19-22/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8583209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).