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

C15H18Cl2N2O3 — CID 2813596

IUPACethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-3-5-19(6-4-10)15(21)18-13-8-11(16)7-12(17)9-13/h7-10H,2-6H2,1H3,(H,18,21)
InChIKeyOYDQFMWVDZRDMW-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.80
Rot. Bonds3

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

ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 2813596) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID2813596
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Nameethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-3-5-19(6-4-10)15(21)18-13-8-11(16)7-12(17)9-13/h7-10H,2-6H2,1H3,(H,18,21)
InChIKeyOYDQFMWVDZRDMW-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate (CID 2813596) is ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is OYDQFMWVDZRDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-3-5-19(6-4-10)15(21)18-13-8-11(16)7-12(17)9-13/h7-10H,2-6H2,1H3,(H,18,21).
What are the key properties of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 345.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2813596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).