(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone

C17H16Cl2N2O3 — CID 51123065

IUPAC(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-8-15(24-20-10)17(23)21-6-4-11(5-7-21)16(22)12-2-3-13(18)14(19)9-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyCRIOJDIIKQTAJF-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.02
Rot. Bonds3

About (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone (PubChem CID 51123065) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
PubChem CID51123065
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-8-15(24-20-10)17(23)21-6-4-11(5-7-21)16(22)12-2-3-13(18)14(19)9-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyCRIOJDIIKQTAJF-UHFFFAOYSA-N
XLogP4.02
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019
(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 55956264
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 55956642
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 77085432
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
(3,4-dichlorophenyl)-[1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]methanone
CID 55956890

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone (CID 51123065) is (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone is Cc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone?
The InChIKey is CRIOJDIIKQTAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10-8-15(24-20-10)17(23)21-6-4-11(5-7-21)16(22)12-2-3-13(18)14(19)9-12/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone has a molecular weight of 367.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 51123065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).