methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate

C15H19ClN2O3 — CID 115536142

IUPACmethyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-6-7-11(9-12(10)16)17-15(20)18-8-4-3-5-13(18)14(19)21-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyJEZAFSAHCCIKQW-CYBMUJFWSA-N
MW310.78 g/mol
LogP3.21
Rot. Bonds2

About methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate

methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 115536142) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
PubChem CID115536142
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-6-7-11(9-12(10)16)17-15(20)18-8-4-3-5-13(18)14(19)21-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyJEZAFSAHCCIKQW-CYBMUJFWSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 61348221
methyl 1-[[4-[2-chloro-4-(2-methylphenyl)anilino]phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 155133995
1-[(4-bromo-3-chlorophenyl)carbamoyl]azepane-2-carboxylic acid
CID 107614585
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742320
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate (CID 115536142) is methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is JEZAFSAHCCIKQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-6-7-11(9-12(10)16)17-15(20)18-8-4-3-5-13(18)14(19)21-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate?
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 115536142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).