3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C20H26N4O — CID 156619932

IUPAC3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCN1C[C@H](Nc2nc3c(c(=O)n2C)CCC3)C[C@H](c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyPUACXQJMNIDQMB-JKSUJKDBSA-N
MW338.45 g/mol
LogP2.17
Rot. Bonds3

About 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 156619932) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID156619932
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCN1C[C@H](Nc2nc3c(c(=O)n2C)CCC3)C[C@H](c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyPUACXQJMNIDQMB-JKSUJKDBSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 156619932) is 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CN1C[C@H](Nc2nc3c(c(=O)n2C)CCC3)C[C@H](c2ccccc2)C1.
What is the InChIKey of 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is PUACXQJMNIDQMB-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 338.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 156619932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).