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

C25H30N4O3 — CID 92629641

IUPAC8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C25H30N4O3/c1-17-21-9-10-22(30)29(15-18-7-8-18)25(21)27-24(26-17)19-11-13-28(14-12-19)23(31)16-32-20-5-3-2-4-6-20/h2-6,18-19H,7-16H2,1H3
InChIKeyPAWGIQOLKOLLIV-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.26
Rot. Bonds6

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

8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629641) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629641
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C25H30N4O3/c1-17-21-9-10-22(30)29(15-18-7-8-18)25(21)27-24(26-17)19-11-13-28(14-12-19)23(31)16-32-20-5-3-2-4-6-20/h2-6,18-19H,7-16H2,1H3
InChIKeyPAWGIQOLKOLLIV-UHFFFAOYSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629151
8-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629208
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
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-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503
1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 92636309
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629641) is 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2CC1CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PAWGIQOLKOLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-21-9-10-22(30)29(15-18-7-8-18)25(21)27-24(26-17)19-11-13-28(14-12-19)23(31)16-32-20-5-3-2-4-6-20/h2-6,18-19H,7-16H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).