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

C28H38N4O2 — CID 124958114

IUPAC2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCCCC5)C4)nc32)cc1
InChIInChI=1S/C28H38N4O2/c1-20-25-14-15-26(33)32(18-16-21-10-12-24(34-2)13-11-21)28(25)30-27(29-20)22-7-6-17-31(19-22)23-8-4-3-5-9-23/h10-13,22-23H,3-9,14-19H2,1-2H3/t22-/m1/s1
InChIKeyGDXODIRHKHXIRL-JOCHJYFZSA-N
MW462.64 g/mol
LogP4.83
Rot. Bonds6

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

2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 124958114) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID124958114
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCCCC5)C4)nc32)cc1
InChIInChI=1S/C28H38N4O2/c1-20-25-14-15-26(33)32(18-16-21-10-12-24(34-2)13-11-21)28(25)30-27(29-20)22-7-6-17-31(19-22)23-8-4-3-5-9-23/h10-13,22-23H,3-9,14-19H2,1-2H3/t22-/m1/s1
InChIKeyGDXODIRHKHXIRL-JOCHJYFZSA-N
XLogP4.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630187
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
7-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261859
8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124979409
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265
N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92630130
3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
CID 92630139

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 124958114) is 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCCCC5)C4)nc32)cc1.
What is the InChIKey of 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GDXODIRHKHXIRL-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-20-25-14-15-26(33)32(18-16-21-10-12-24(34-2)13-11-21)28(25)30-27(29-20)22-7-6-17-31(19-22)23-8-4-3-5-9-23/h10-13,22-23H,3-9,14-19H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 462.64 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 124958114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).