methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate

C14H16Cl2N2O3 — CID 110754243

IUPACmethyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-4-2-9(3-5-18)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyOTWTYPPVFHMYNB-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.41
Rot. Bonds2

About methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754243) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754243
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Namemethyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-4-2-9(3-5-18)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyOTWTYPPVFHMYNB-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
CID 43018274
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
tert-butyl 4-[[2-(3,5-dichlorophenoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952943
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
tert-butyl 4-[(2-chloro-5-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110424428
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate (CID 110754243) is methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is OTWTYPPVFHMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-4-2-9(3-5-18)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 331.20 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).