1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one

C21H25N3O2 — CID 127032801

IUPAC1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one
SMILESO=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25N3O2/c25-17-10-13-24(14-11-17)12-5-15-26-21-18-8-4-9-19(18)22-20(23-21)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2
InChIKeyDYDIEYCYPAHISG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds6

About 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one

1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one (PubChem CID 127032801) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one
PubChem CID127032801
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one
SMILESO=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25N3O2/c25-17-10-13-24(14-11-17)12-5-15-26-21-18-8-4-9-19(18)22-20(23-21)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2
InChIKeyDYDIEYCYPAHISG-UHFFFAOYSA-N
XLogP3.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one?
The IUPAC name of 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one (CID 127032801) is 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one.
What is the SMILES notation for 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one?
The canonical SMILES for 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one is O=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one?
The InChIKey is DYDIEYCYPAHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-17-10-13-24(14-11-17)12-5-15-26-21-18-8-4-9-19(18)22-20(23-21)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one?
1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one has a molecular weight of 351.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]piperidin-4-one is sourced from PubChem (CID 127032801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).