1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone

C21H26N4O2 — CID 110240399

IUPAC1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCN1CCc2nc(C3CCCCN3C(=O)COc3ccccc3)ncc2C1
InChIInChI=1S/C21H26N4O2/c1-24-12-10-18-16(14-24)13-22-21(23-18)19-9-5-6-11-25(19)20(26)15-27-17-7-3-2-4-8-17/h2-4,7-8,13,19H,5-6,9-12,14-15H2,1H3
InChIKeyBAIZSMQRXPKSGF-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.60
Rot. Bonds4

About 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone

1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110240399) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID110240399
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCN1CCc2nc(C3CCCCN3C(=O)COc3ccccc3)ncc2C1
InChIInChI=1S/C21H26N4O2/c1-24-12-10-18-16(14-24)13-22-21(23-18)19-9-5-6-11-25(19)20(26)15-27-17-7-3-2-4-8-17/h2-4,7-8,13,19H,5-6,9-12,14-15H2,1H3
InChIKeyBAIZSMQRXPKSGF-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92549702
1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110240811
1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 92608905
(2-ethoxyphenyl)-[(2S)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92587564
1-[(2R)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596442
6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92548043
1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263652
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 92548920
1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 110241693
6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92580413
1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549252
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 92549152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone (CID 110240399) is 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone is CN1CCc2nc(C3CCCCN3C(=O)COc3ccccc3)ncc2C1.
What is the InChIKey of 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is BAIZSMQRXPKSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-12-10-18-16(14-24)13-22-21(23-18)19-9-5-6-11-25(19)20(26)15-27-17-7-3-2-4-8-17/h2-4,7-8,13,19H,5-6,9-12,14-15H2,1H3.
What are the key properties of 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 366.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110240399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).