methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate

C14H16BrNO3 — CID 79833087

IUPACmethyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c1-19-14(18)12-7-2-3-8-16(12)13(17)10-5-4-6-11(15)9-10/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeySNCCTNJZOCPITD-GFCCVEGCSA-N
MW326.19 g/mol
LogP2.62
Rot. Bonds2

About methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate (PubChem CID 79833087) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
PubChem CID79833087
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Namemethyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c1-19-14(18)12-7-2-3-8-16(12)13(17)10-5-4-6-11(15)9-10/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeySNCCTNJZOCPITD-GFCCVEGCSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 119322257
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate (CID 79833087) is methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1.
What is the InChIKey of methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate?
The InChIKey is SNCCTNJZOCPITD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-19-14(18)12-7-2-3-8-16(12)13(17)10-5-4-6-11(15)9-10/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate has a molecular weight of 326.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).