2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H29FN4O3 — CID 92629151

IUPAC2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nc21
InChIInChI=1S/C24H29FN4O3/c1-3-12-29-21(30)9-8-20-16(2)26-23(27-24(20)29)17-10-13-28(14-11-17)22(31)15-32-19-6-4-18(25)5-7-19/h4-7,17H,3,8-15H2,1-2H3
InChIKeyQXJWCDVFCOILJV-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.40
Rot. Bonds6

About 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629151) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629151
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nc21
InChIInChI=1S/C24H29FN4O3/c1-3-12-29-21(30)9-8-20-16(2)26-23(27-24(20)29)17-10-13-28(14-11-17)22(31)15-32-19-6-4-18(25)5-7-19/h4-7,17H,3,8-15H2,1-2H3
InChIKeyQXJWCDVFCOILJV-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629641
2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261168
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621455
8-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629208
7-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124995408
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125008528
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629151) is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nc21.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QXJWCDVFCOILJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-3-12-29-21(30)9-8-20-16(2)26-23(27-24(20)29)17-10-13-28(14-11-17)22(31)15-32-19-6-4-18(25)5-7-19/h4-7,17H,3,8-15H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).