N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide

C16H17ClN4O3 — CID 60573731

IUPACN-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1noc(C2CCCN(C(=O)C(=O)Nc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN4O3/c1-10-18-15(24-20-10)11-3-2-8-21(9-11)16(23)14(22)19-13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyOFQKVQHMXXBHFB-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.38
Rot. Bonds2

About N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 60573731) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID60573731
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1noc(C2CCCN(C(=O)C(=O)Nc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN4O3/c1-10-18-15(24-20-10)11-3-2-8-21(9-11)16(23)14(22)19-13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyOFQKVQHMXXBHFB-UHFFFAOYSA-N
XLogP2.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide
CID 48840230
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 7283792
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 166183458
(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526643
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide (CID 60573731) is N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide is Cc1noc(C2CCCN(C(=O)C(=O)Nc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is OFQKVQHMXXBHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-10-18-15(24-20-10)11-3-2-8-21(9-11)16(23)14(22)19-13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 348.79 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 60573731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).