3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C16H17ClN2O5 — CID 121156516

IUPAC3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H17ClN2O5/c1-23-13-3-2-10(17)8-12(13)15(21)18-6-4-11(5-7-18)19-14(20)9-24-16(19)22/h2-3,8,11H,4-7,9H2,1H3
InChIKeyBRMPWJXEMPLOLD-UHFFFAOYSA-N
MW352.77 g/mol
LogP1.93
Rot. Bonds3

About 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156516) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156516
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H17ClN2O5/c1-23-13-3-2-10(17)8-12(13)15(21)18-6-4-11(5-7-18)19-14(20)9-24-16(19)22/h2-3,8,11H,4-7,9H2,1H3
InChIKeyBRMPWJXEMPLOLD-UHFFFAOYSA-N
XLogP1.93
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 73167665
3-[1-(2-bromo-5-methoxybenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814964
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156516) is 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is COc1ccc(Cl)cc1C(=O)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BRMPWJXEMPLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-23-13-3-2-10(17)8-12(13)15(21)18-6-4-11(5-7-18)19-14(20)9-24-16(19)22/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 352.77 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).