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

C20H31N5O — CID 92584217

IUPAC2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1
InChIInChI=1S/C20H31N5O/c1-15-4-8-24(9-5-15)14-19(26)25-10-6-18-17(13-25)12-22-20(23-18)16-3-2-7-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t16-/m1/s1
InChIKeySMUISKLNNOUQHS-MRXNPFEDSA-N
MW357.50 g/mol
LogP1.56
Rot. Bonds3

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

2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92584217) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92584217
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1
InChIInChI=1S/C20H31N5O/c1-15-4-8-24(9-5-15)14-19(26)25-10-6-18-17(13-25)12-22-20(23-18)16-3-2-7-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t16-/m1/s1
InChIKeySMUISKLNNOUQHS-MRXNPFEDSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2S)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92583946
2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92583945
1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 110241382
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
2-phenoxy-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575358
2-phenoxy-1-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575359
2-(2-fluorophenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92572516
2-(3,4-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92597870
(4S)-1-methyl-4-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607780
(4S)-1-methyl-4-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607782
2-(2,5-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92594562
3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 110241397

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92584217) is 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC1CCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is SMUISKLNNOUQHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-4-8-24(9-5-15)14-19(26)25-10-6-18-17(13-25)12-22-20(23-18)16-3-2-7-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92584217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).