ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate

C18H21N3O5 — CID 72861714

IUPACethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc3occc(=O)c3c2)CC1
InChIInChI=1S/C18H21N3O5/c1-2-25-18(24)21-8-5-12(6-9-21)19-17(23)20-13-3-4-16-14(11-13)15(22)7-10-26-16/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,19,20,23)
InChIKeyPEEOJMHRHMSZAT-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.54
Rot. Bonds3

About ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 72861714) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID72861714
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Nameethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc3occc(=O)c3c2)CC1
InChIInChI=1S/C18H21N3O5/c1-2-25-18(24)21-8-5-12(6-9-21)19-17(23)20-13-3-4-16-14(11-13)15(22)7-10-26-16/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,19,20,23)
InChIKeyPEEOJMHRHMSZAT-UHFFFAOYSA-N
XLogP2.54
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate
CID 72888952
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 3447759
ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 119049002
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate (CID 72861714) is ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc3occc(=O)c3c2)CC1.
What is the InChIKey of ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is PEEOJMHRHMSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-2-25-18(24)21-8-5-12(6-9-21)19-17(23)20-13-3-4-16-14(11-13)15(22)7-10-26-16/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,19,20,23).
What are the key properties of ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 72861714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).