[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C23H28N4O — CID 24816627

IUPAC[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCC1
InChIInChI=1S/C23H28N4O/c28-23(27-13-4-5-14-27)18-11-15-26(16-12-18)22-19-9-6-10-20(19)24-21(25-22)17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2
InChIKeyRMGPNUFLFUJZBM-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.47
Rot. Bonds3

About [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24816627) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24816627
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCC1
InChIInChI=1S/C23H28N4O/c28-23(27-13-4-5-14-27)18-11-15-26(16-12-18)22-19-9-6-10-20(19)24-21(25-22)17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2
InChIKeyRMGPNUFLFUJZBM-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 24816627) is [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCC1.
What is the InChIKey of [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RMGPNUFLFUJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(27-13-4-5-14-27)18-11-15-26(16-12-18)22-19-9-6-10-20(19)24-21(25-22)17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2.
What are the key properties of [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24816627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).