ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate

C15H19ClN2O3 — CID 2815504

IUPACethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-14(19)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,19)
InChIKeyJVJUSBNRIJFGQD-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.69
Rot. Bonds3

About ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 2815504) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID2815504
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-14(19)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,19)
InChIKeyJVJUSBNRIJFGQD-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate (CID 2815504) is ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is JVJUSBNRIJFGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-14(19)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 2815504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).