methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate

C22H26N2O3 — CID 132601950

IUPACmethyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1(c2ccccc2)Cc2c(C)nc(N3CCOCC3)c(C)c2C1
InChIInChI=1S/C22H26N2O3/c1-15-18-13-22(21(25)26-3,17-7-5-4-6-8-17)14-19(18)16(2)23-20(15)24-9-11-27-12-10-24/h4-8H,9-14H2,1-3H3
InChIKeyBDLNTFTUALTDPC-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.74
Rot. Bonds3

About methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate

methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate (PubChem CID 132601950) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
PubChem CID132601950
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namemethyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1(c2ccccc2)Cc2c(C)nc(N3CCOCC3)c(C)c2C1
InChIInChI=1S/C22H26N2O3/c1-15-18-13-22(21(25)26-3,17-7-5-4-6-8-17)14-19(18)16(2)23-20(15)24-9-11-27-12-10-24/h4-8H,9-14H2,1-3H3
InChIKeyBDLNTFTUALTDPC-UHFFFAOYSA-N
XLogP2.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The IUPAC name of methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate (CID 132601950) is methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate is COC(=O)C1(c2ccccc2)Cc2c(C)nc(N3CCOCC3)c(C)c2C1.
What is the InChIKey of methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The InChIKey is BDLNTFTUALTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-18-13-22(21(25)26-3,17-7-5-4-6-8-17)14-19(18)16(2)23-20(15)24-9-11-27-12-10-24/h4-8H,9-14H2,1-3H3.
What are the key properties of methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethyl-3-morpholin-4-yl-6-phenyl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate is sourced from PubChem (CID 132601950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).