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

C25H32N4O2 — CID 24817309

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOCC1CCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)C1
InChIInChI=1S/C25H32N4O2/c1-31-17-18-10-13-29(16-18)25(30)20-11-14-28(15-12-20)24-21-8-5-9-22(21)26-23(27-24)19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3
InChIKeyPGOJHZGQPJHNES-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.34
Rot. Bonds5

About [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 24817309) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID24817309
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOCC1CCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)C1
InChIInChI=1S/C25H32N4O2/c1-31-17-18-10-13-29(16-18)25(30)20-11-14-28(15-12-20)24-21-8-5-9-22(21)26-23(27-24)19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3
InChIKeyPGOJHZGQPJHNES-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (CID 24817309) is [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is COCC1CCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)C1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is PGOJHZGQPJHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-31-17-18-10-13-29(16-18)25(30)20-11-14-28(15-12-20)24-21-8-5-9-22(21)26-23(27-24)19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 24817309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).