methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate

C14H16ClNO3 — CID 115280036

IUPACmethyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-19-14(18)12-8-4-5-9-16(12)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyHLFFCPBMJSLEQU-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.51
Rot. Bonds2

About methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate

methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate (PubChem CID 115280036) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
PubChem CID115280036
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Namemethyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-19-14(18)12-8-4-5-9-16(12)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyHLFFCPBMJSLEQU-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate (CID 115280036) is methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccccc1Cl.
What is the InChIKey of methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate?
The InChIKey is HLFFCPBMJSLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-19-14(18)12-8-4-5-9-16(12)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate?
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate has a molecular weight of 281.74 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).