N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide

C17H20ClN5O2 — CID 78892030

IUPACN-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C17H20ClN5O2/c1-11-19-16(21-23(11)15-7-5-13(18)6-8-15)17(25)22-9-3-4-14(10-22)20-12(2)24/h5-8,14H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyNADCRVCENFFKOZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.97
Rot. Bonds3

About N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide

N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide (PubChem CID 78892030) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide
PubChem CID78892030
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C17H20ClN5O2/c1-11-19-16(21-23(11)15-7-5-13(18)6-8-15)17(25)22-9-3-4-14(10-22)20-12(2)24/h5-8,14H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyNADCRVCENFFKOZ-UHFFFAOYSA-N
XLogP1.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827255
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 34839657
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493814
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92518956
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 87030566
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9489639
[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 78866401
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864864
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide (CID 78892030) is N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is NADCRVCENFFKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-11-19-16(21-23(11)15-7-5-13(18)6-8-15)17(25)22-9-3-4-14(10-22)20-12(2)24/h5-8,14H,3-4,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide?
N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 78892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).