4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C20H23N5O2 — CID 171911640

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C20H23N5O2/c1-13(26)25-11-8-15(9-12-25)22-19-16-7-10-21-20(27)17(16)23-18(24-19)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,21,27)(H,22,23,24)
InChIKeyBEYDEPCPMSYDCM-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.85
Rot. Bonds3

About 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171911640) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171911640
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C20H23N5O2/c1-13(26)25-11-8-15(9-12-25)22-19-16-7-10-21-20(27)17(16)23-18(24-19)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,21,27)(H,22,23,24)
InChIKeyBEYDEPCPMSYDCM-UHFFFAOYSA-N
XLogP1.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

4-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389451
N-cyclopropyl-7-methylsulfonyl-2-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97413484
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
4-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386121
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389388
4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171914298
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171907719
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone
CID 29124132
tert-butyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 58919641
formic acid;1-[4-[(1-methylpiperidin-3-yl)amino]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]ethanone
CID 154921448

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171911640) is 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3c2CCNC3=O)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is BEYDEPCPMSYDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(26)25-11-8-15(9-12-25)22-19-16-7-10-21-20(27)17(16)23-18(24-19)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,21,27)(H,22,23,24).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 365.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171911640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).