ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate

C16H22ClN3O4 — CID 2812259

IUPACethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H22ClN3O4/c1-3-24-16(22)20-8-6-12(7-9-20)18-15(21)19-13-10-11(17)4-5-14(13)23-2/h4-5,10,12H,3,6-9H2,1-2H3,(H2,18,19,21)
InChIKeyHWUBOUIRBLFCCG-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.09
Rot. Bonds4

About ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 2812259) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID2812259
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Nameethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H22ClN3O4/c1-3-24-16(22)20-8-6-12(7-9-20)18-15(21)19-13-10-11(17)4-5-14(13)23-2/h4-5,10,12H,3,6-9H2,1-2H3,(H2,18,19,21)
InChIKeyHWUBOUIRBLFCCG-UHFFFAOYSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate (CID 2812259) is ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is HWUBOUIRBLFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/c1-3-24-16(22)20-8-6-12(7-9-20)18-15(21)19-13-10-11(17)4-5-14(13)23-2/h4-5,10,12H,3,6-9H2,1-2H3,(H2,18,19,21).
What are the key properties of ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2812259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).