ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate

C24H34N4O3 — CID 118263922

IUPACethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C24H34N4O3/c1-4-31-24(29)22-23(27-18-11-10-16(2)14-20(18)26-22)28-13-12-19(21(15-28)30-3)25-17-8-6-5-7-9-17/h10-11,14,17,19,21,25H,4-9,12-13,15H2,1-3H3
InChIKeyMADZTZMDILZHMB-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.63
Rot. Bonds6

About ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate

ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate (PubChem CID 118263922) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate
PubChem CID118263922
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nameethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C24H34N4O3/c1-4-31-24(29)22-23(27-18-11-10-16(2)14-20(18)26-22)28-13-12-19(21(15-28)30-3)25-17-8-6-5-7-9-17/h10-11,14,17,19,21,25H,4-9,12-13,15H2,1-3H3
InChIKeyMADZTZMDILZHMB-UHFFFAOYSA-N
XLogP3.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate (CID 118263922) is ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(OC)C1.
What is the InChIKey of ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate?
The InChIKey is MADZTZMDILZHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-4-31-24(29)22-23(27-18-11-10-16(2)14-20(18)26-22)28-13-12-19(21(15-28)30-3)25-17-8-6-5-7-9-17/h10-11,14,17,19,21,25H,4-9,12-13,15H2,1-3H3.
What are the key properties of ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate?
ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-methylquinoxaline-2-carboxylate is sourced from PubChem (CID 118263922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).