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

C22H33N5O2 — CID 92551325

IUPAC(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCCC2)C3)C1
InChIInChI=1S/C22H33N5O2/c1-16(25-9-4-3-5-10-25)22(29)27-12-8-20-19(15-27)13-23-21(24-20)18-7-6-11-26(14-18)17(2)28/h13,16,18H,3-12,14-15H2,1-2H3/t16-,18-/m1/s1
InChIKeyXZPKATDZXLGMOH-SJLPKXTDSA-N
MW399.54 g/mol
LogP1.96
Rot. Bonds3

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

(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one (PubChem CID 92551325) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one
PubChem CID92551325
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCCC2)C3)C1
InChIInChI=1S/C22H33N5O2/c1-16(25-9-4-3-5-10-25)22(29)27-12-8-20-19(15-27)13-23-21(24-20)18-7-6-11-26(14-18)17(2)28/h13,16,18H,3-12,14-15H2,1-2H3/t16-,18-/m1/s1
InChIKeyXZPKATDZXLGMOH-SJLPKXTDSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-1-[2-[(3S)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562650
1-[(3R)-3-[6-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549077
1-[(3S)-3-[6-[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124800505
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 92579001
1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 95850645
1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one
CID 110241708
1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92581213
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-(azepan-1-yl)ethanone
CID 110241574
1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 92584211
1-[4-[6-(cyclopentanecarbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92548990
1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110243569
1-[2-[(3R)-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92559324

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one (CID 92551325) is (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one is CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCCC2)C3)C1.
What is the InChIKey of (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one?
The InChIKey is XZPKATDZXLGMOH-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16(25-9-4-3-5-10-25)22(29)27-12-8-20-19(15-27)13-23-21(24-20)18-7-6-11-26(14-18)17(2)28/h13,16,18H,3-12,14-15H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one?
(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one has a molecular weight of 399.54 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 92551325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).