ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate

C15H18ClNO4 — CID 43648357

IUPACethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H18ClNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-7-6-10(16)9-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3
InChIKeySXCLJNAICVGLIF-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.60
Rot. Bonds3

About ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate

ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate (PubChem CID 43648357) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
PubChem CID43648357
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Nameethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H18ClNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-7-6-10(16)9-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3
InChIKeySXCLJNAICVGLIF-UHFFFAOYSA-N
XLogP2.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 106993639
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate (CID 43648357) is ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The InChIKey is SXCLJNAICVGLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-7-6-10(16)9-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3.
What are the key properties of ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate?
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 43648357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).