3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one

C19H22N4O2 — CID 102557521

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2ncnc3c2CCC3)C1=O
InChIInChI=1S/C19H22N4O2/c1-25-17-10-3-2-9-16(17)23-11-5-8-15(19(23)24)22-18-13-6-4-7-14(13)20-12-21-18/h2-3,9-10,12,15H,4-8,11H2,1H3,(H,20,21,22)
InChIKeySRYANRZHFLEGDW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.58
Rot. Bonds4

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one (PubChem CID 102557521) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
PubChem CID102557521
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2ncnc3c2CCC3)C1=O
InChIInChI=1S/C19H22N4O2/c1-25-17-10-3-2-9-16(17)23-11-5-8-15(19(23)24)22-18-13-6-4-7-14(13)20-12-21-18/h2-3,9-10,12,15H,4-8,11H2,1H3,(H,20,21,22)
InChIKeySRYANRZHFLEGDW-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one (CID 102557521) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one is COc1ccccc1N1CCCC(Nc2ncnc3c2CCC3)C1=O.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one?
The InChIKey is SRYANRZHFLEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-17-10-3-2-9-16(17)23-11-5-8-15(19(23)24)22-18-13-6-4-7-14(13)20-12-21-18/h2-3,9-10,12,15H,4-8,11H2,1H3,(H,20,21,22).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 102557521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).