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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
methyl 1-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-phenylpyrrolidine-3-carboxylate
CID 163310725
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 102218476
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
methyl 1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 86897389
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 89181939
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
CID 90491812
5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 71266196

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).