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

C19H22N4O — CID 92574070

IUPACphenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C19H22N4O/c24-19(15-4-2-1-3-5-15)23-11-8-17-16(13-23)12-21-18(22-17)14-6-9-20-10-7-14/h1-5,12,14,20H,6-11,13H2
InChIKeyIAJRZYYMRNAPQJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.14
Rot. Bonds2

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

phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 92574070) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID92574070
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Namephenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C19H22N4O/c24-19(15-4-2-1-3-5-15)23-11-8-17-16(13-23)12-21-18(22-17)14-6-9-20-10-7-14/h1-5,12,14,20H,6-11,13H2
InChIKeyIAJRZYYMRNAPQJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92599596
[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 92608142
[4-(ethoxymethyl)phenyl]-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 95850714
2-phenoxy-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110243598
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 136555351
1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549000
(3-methoxyphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608015
1-[4-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549001
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110243600
2-(4-fluorophenyl)-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110241630
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549825

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 92574070) is phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(c1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1.
What is the InChIKey of phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is IAJRZYYMRNAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(15-4-2-1-3-5-15)23-11-8-17-16(13-23)12-21-18(22-17)14-6-9-20-10-7-14/h1-5,12,14,20H,6-11,13H2.
What are the key properties of phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 92574070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).