N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide

C20H24ClN5O3 — CID 121070024

IUPACN-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H24ClN5O3/c1-24-18(13-7-9-25(10-8-13)19(28)14-5-6-14)23-26(20(24)29)12-17(27)22-16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H,22,27)
InChIKeyIUNLWZGUSZTGMH-UHFFFAOYSA-N
MW417.90 g/mol
LogP1.99
Rot. Bonds5

About N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide (PubChem CID 121070024) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
PubChem CID121070024
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC NameN-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H24ClN5O3/c1-24-18(13-7-9-25(10-8-13)19(28)14-5-6-14)23-26(20(24)29)12-17(27)22-16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H,22,27)
InChIKeyIUNLWZGUSZTGMH-UHFFFAOYSA-N
XLogP1.99
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 121070037
2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 121070014
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
CID 110223080
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide (CID 121070024) is N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide is Cn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The InChIKey is IUNLWZGUSZTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c1-24-18(13-7-9-25(10-8-13)19(28)14-5-6-14)23-26(20(24)29)12-17(27)22-16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H,22,27).
What are the key properties of N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide has a molecular weight of 417.90 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 121070024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).