ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate

C16H21ClN2O3 — CID 3754378

IUPACethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-8-19(9-7-12)16(21)18-14-10-13(17)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyQHJCISSRZMPPEI-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.46
Rot. Bonds3

About ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 3754378) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID3754378
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Nameethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-8-19(9-7-12)16(21)18-14-10-13(17)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyQHJCISSRZMPPEI-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(4-chloro-2-methylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504213
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
(4aR,8aR)-N-(5-chloro-2-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944871
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate (CID 3754378) is ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is QHJCISSRZMPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-8-19(9-7-12)16(21)18-14-10-13(17)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,21).
What are the key properties of ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 324.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 3754378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).