2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

C21H26N4O — CID 110241149

IUPAC2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2ncc3c(n2)CCNC3)C1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-15(16-6-3-2-4-7-16)21(26)25-11-5-8-17(14-25)20-23-13-18-12-22-10-9-19(18)24-20/h2-4,6-7,13,15,17,22H,5,8-12,14H2,1H3
InChIKeyGEAZTTXFWIKLND-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.63
Rot. Bonds3

About 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110241149) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110241149
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2ncc3c(n2)CCNC3)C1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-15(16-6-3-2-4-7-16)21(26)25-11-5-8-17(14-25)20-23-13-18-12-22-10-9-19(18)24-20/h2-4,6-7,13,15,17,22H,5,8-12,14H2,1H3
InChIKeyGEAZTTXFWIKLND-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenyl-1-[(3R)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92574289
(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 92582598
(2S)-2-(2,4-dimethylphenoxy)-1-[(3R)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92556074
1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586468
2,2-diphenyl-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240727
2-cyclopentyl-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92567837
2-cyclopentyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110241151
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92584750
1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
(2,5-dimethoxyphenyl)-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594485
(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241136

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 110241149) is 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(c2ncc3c(n2)CCNC3)C1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GEAZTTXFWIKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15(16-6-3-2-4-7-16)21(26)25-11-5-8-17(14-25)20-23-13-18-12-22-10-9-19(18)24-20/h2-4,6-7,13,15,17,22H,5,8-12,14H2,1H3.
What are the key properties of 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110241149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).