methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate

C14H15BrClNO3 — CID 80952645

IUPACmethyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C14H15BrClNO3/c1-20-14(19)9-4-6-17(7-5-9)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyFUZNPDSRAPZCLA-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.13
Rot. Bonds2

About methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate

methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 80952645) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID80952645
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Namemethyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C14H15BrClNO3/c1-20-14(19)9-4-6-17(7-5-9)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyFUZNPDSRAPZCLA-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
CID 51219311
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825
methyl 1-(4-bromo-3-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 78985801
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate (CID 80952645) is methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is FUZNPDSRAPZCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c1-20-14(19)9-4-6-17(7-5-9)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate?
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 360.64 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 80952645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).