ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate

C16H20ClNO3 — CID 46944032

IUPACethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO3/c1-3-21-15(20)16(2)9-4-5-10-18(16)14(19)12-7-6-8-13(17)11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyYQONLPSNXOFYFP-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.29
Rot. Bonds3

About ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate

ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate (PubChem CID 46944032) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate
PubChem CID46944032
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Nameethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO3/c1-3-21-15(20)16(2)9-4-5-10-18(16)14(19)12-7-6-8-13(17)11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyYQONLPSNXOFYFP-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
Methyl 2-[(3-chlorophenyl)carbonylamino]acetate
CID 669189
4-(3,5-Dichlorobenzoyl)morpholine
CID 790875
Ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 2905142
N-(4-Chlorobenzoyl)morpholine
CID 225452
(3-Chlorophenyl)[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
CID 3700490
Ethyl 1-(3-chlorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 49790829
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7442821
Ethyl 1-(3-chlorobenzoyl)-4-piperidinecarboxylate
CID 798973
(2,5-Dichlorophenyl)(morpholino)methanone
CID 868908
Ethyl 1-(3,4-dichlorobenzoyl)-4-piperidinecarboxylate
CID 789224
(2-Chloro-4-methylphenyl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2961263

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate (CID 46944032) is ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate is CCOC(=O)C1(C)CCCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate?
The InChIKey is YQONLPSNXOFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-3-21-15(20)16(2)9-4-5-10-18(16)14(19)12-7-6-8-13(17)11-12/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate?
ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate has a molecular weight of 309.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorobenzoyl)-2-methylpiperidine-2-carboxylate is sourced from PubChem (CID 46944032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).