4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

C27H36N4O — CID 158913491

IUPAC4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCCN1CCN(c2ccc(-c3nc(C)c(C)c4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C27H36N4O/c1-4-29-9-11-31(12-10-29)24-7-5-23(6-8-24)27-26-18-22(19-30-13-15-32-16-14-30)17-25(26)20(2)21(3)28-27/h5-8,18H,4,9-17,19H2,1-3H3
InChIKeyJGYCYUSEYJLREG-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.78
Rot. Bonds5

About 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (PubChem CID 158913491) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
PubChem CID158913491
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCCN1CCN(c2ccc(-c3nc(C)c(C)c4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C27H36N4O/c1-4-29-9-11-31(12-10-29)24-7-5-23(6-8-24)27-26-18-22(19-30-13-15-32-16-14-30)17-25(26)20(2)21(3)28-27/h5-8,18H,4,9-17,19H2,1-3H3
InChIKeyJGYCYUSEYJLREG-UHFFFAOYSA-N
XLogP3.78
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (CID 158913491) is 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is CCN1CCN(c2ccc(-c3nc(C)c(C)c4c3C=C(CN3CCOCC3)C4)cc2)CC1.
What is the InChIKey of 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The InChIKey is JGYCYUSEYJLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-4-29-9-11-31(12-10-29)24-7-5-23(6-8-24)27-26-18-22(19-30-13-15-32-16-14-30)17-25(26)20(2)21(3)28-27/h5-8,18H,4,9-17,19H2,1-3H3.
What are the key properties of 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine has a molecular weight of 432.61 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is sourced from PubChem (CID 158913491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).