ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate

C16H21ClN2O3 — CID 51944275

IUPACethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1
InChIInChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-5-9-19(10-12)16(21)18-14-8-4-7-13(17)11(14)2/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyWQLPWAWYVRJSNX-GFCCVEGCSA-N
MW324.81 g/mol
LogP3.46
Rot. Bonds3

About ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate

ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 51944275) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID51944275
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Nameethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1
InChIInChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-5-9-19(10-12)16(21)18-14-8-4-7-13(17)11(14)2/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyWQLPWAWYVRJSNX-GFCCVEGCSA-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 (3R)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 899552
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
ethyl (3R)-1-[(2-chloro-5-methoxy-4-methoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94166149
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate (CID 51944275) is ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1.
What is the InChIKey of ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is WQLPWAWYVRJSNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-22-15(20)12-6-5-9-19(10-12)16(21)18-14-8-4-7-13(17)11(14)2/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-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 (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51944275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).