2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C27H36N4O — CID 92630896

IUPAC2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C27H36N4O/c1-20-23-15-16-25(32)31(19-17-21-10-4-2-5-11-21)27(23)29-26(28-20)24-14-8-9-18-30(24)22-12-6-3-7-13-22/h2,4-5,10-11,22,24H,3,6-9,12-19H2,1H3/t24-/m0/s1
InChIKeyPUWFKKHSCBOYDX-DEOSSOPVSA-N
MW432.61 g/mol
LogP5.17
Rot. Bonds5

About 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630896) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630896
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C27H36N4O/c1-20-23-15-16-25(32)31(19-17-21-10-4-2-5-11-21)27(23)29-26(28-20)24-14-8-9-18-30(24)22-12-6-3-7-13-22/h2,4-5,10-11,22,24H,3,6-9,12-19H2,1H3/t24-/m0/s1
InChIKeyPUWFKKHSCBOYDX-DEOSSOPVSA-N
XLogP5.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630439
4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630438
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990
N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 92630575
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618661
4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260833

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630896) is 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PUWFKKHSCBOYDX-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H36N4O/c1-20-23-15-16-25(32)31(19-17-21-10-4-2-5-11-21)27(23)29-26(28-20)24-14-8-9-18-30(24)22-12-6-3-7-13-22/h2,4-5,10-11,22,24H,3,6-9,12-19H2,1H3/t24-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.61 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).