ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate

C15H20ClN3O3 — CID 17423931

IUPACethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyPVEADLMCJRJUEP-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.08
Rot. Bonds3

About ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 17423931) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID17423931
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Nameethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyPVEADLMCJRJUEP-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531047
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531749

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate (CID 17423931) is ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is PVEADLMCJRJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20).
What are the key properties of ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 17423931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).