4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C22H29N3O — CID 127032797

IUPAC4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C22H29N3O/c1-17-11-14-25(15-12-17)13-6-16-26-22-19-9-5-10-20(19)23-21(24-22)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeyHJDMNYBCNCJCBH-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.13
Rot. Bonds6

About 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 127032797) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID127032797
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C22H29N3O/c1-17-11-14-25(15-12-17)13-6-16-26-22-19-9-5-10-20(19)23-21(24-22)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeyHJDMNYBCNCJCBH-UHFFFAOYSA-N
XLogP4.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 127032797) is 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HJDMNYBCNCJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-11-14-25(15-12-17)13-6-16-26-22-19-9-5-10-20(19)23-21(24-22)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 351.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 127032797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).