1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C20H31N5O2 — CID 92625622

IUPAC1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCC(O)CC3)c2C1
InChIInChI=1S/C20H31N5O2/c1-14(26)25-11-7-18-17(13-25)20(24-9-5-16(27)6-10-24)22-19(21-18)15-4-3-8-23(2)12-15/h15-16,27H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyIPXTXLLQIJQTEZ-HNNXBMFYSA-N
MW373.50 g/mol
LogP1.15
Rot. Bonds2

About 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92625622) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92625622
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCC(O)CC3)c2C1
InChIInChI=1S/C20H31N5O2/c1-14(26)25-11-7-18-17(13-25)20(24-9-5-16(27)6-10-24)22-19(21-18)15-4-3-8-23(2)12-15/h15-16,27H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyIPXTXLLQIJQTEZ-HNNXBMFYSA-N
XLogP1.15
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-(N-methylanilino)propylamino]-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625490
1-[4-[3-(4-methoxyphenyl)propylamino]-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625491
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
cyclobutyl-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 70773707
1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 110225682
3-(2-methoxyphenyl)-1-[4-(methylamino)-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92624607
2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110262327
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
(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one
CID 97194745
1-[2-[1-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 163310719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92625622) is 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCC(O)CC3)c2C1.
What is the InChIKey of 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is IPXTXLLQIJQTEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-14(26)25-11-7-18-17(13-25)20(24-9-5-16(27)6-10-24)22-19(21-18)15-4-3-8-23(2)12-15/h15-16,27H,3-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92625622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).