N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide

C16H18Cl2N2O3 — CID 134117954

IUPACN-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide
SMILESO=C1CC(NC(=O)N2CCCCC2)C(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C16H18Cl2N2O3/c17-11-6-4-5-10(14(11)18)15-12(9-13(21)23-15)19-16(22)20-7-2-1-3-8-20/h4-6,12,15H,1-3,7-9H2,(H,19,22)
InChIKeyPMYOULLEQWHDBT-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.55
Rot. Bonds2

About N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide

N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide (PubChem CID 134117954) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide
PubChem CID134117954
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC NameN-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide
SMILESO=C1CC(NC(=O)N2CCCCC2)C(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C16H18Cl2N2O3/c17-11-6-4-5-10(14(11)18)15-12(9-13(21)23-15)19-16(22)20-7-2-1-3-8-20/h4-6,12,15H,1-3,7-9H2,(H,19,22)
InChIKeyPMYOULLEQWHDBT-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-chlorophenyl)-N-cyclohexyl-1,4-thiazepane-4-carboxamide
CID 90629870
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
[3-chloro-7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 91026037
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
CID 126449547
(2,3-dichlorophenyl)cycloheptane
CID 166869288
[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 97315628
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
CID 40530963

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide (CID 134117954) is N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide is O=C1CC(NC(=O)N2CCCCC2)C(c2cccc(Cl)c2Cl)O1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide?
The InChIKey is PMYOULLEQWHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c17-11-6-4-5-10(14(11)18)15-12(9-13(21)23-15)19-16(22)20-7-2-1-3-8-20/h4-6,12,15H,1-3,7-9H2,(H,19,22).
What are the key properties of N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide?
N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-5-oxooxolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 134117954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).