methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate

C14H16Cl2N2O3 — CID 78915612

IUPACmethyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-9-5-6-10(15)11(16)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,17,20)
InChIKeyPZGASTURLQSJOM-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.55
Rot. Bonds2

About methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate

methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 78915612) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
PubChem CID78915612
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Namemethyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-9-5-6-10(15)11(16)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,17,20)
InChIKeyPZGASTURLQSJOM-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 61348221
1-[(4-bromo-3-chlorophenyl)carbamoyl]azepane-2-carboxylic acid
CID 107614585
dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 3280147
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 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate (CID 78915612) is methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is PZGASTURLQSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-9-5-6-10(15)11(16)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,17,20).
What are the key properties of methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate?
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 331.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 78915612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).