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

C20H31N5O — CID 92583945

IUPAC2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1
InChIInChI=1S/C20H31N5O/c1-15-5-2-3-9-24(15)14-19(26)25-10-7-18-17(13-25)12-22-20(23-18)16-6-4-8-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t15-,16-/m1/s1
InChIKeyAKUAVLAEVFBKNY-HZPDHXFCSA-N
MW357.50 g/mol
LogP1.70
Rot. Bonds3

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

2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92583945) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(2R)-2-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-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92583945
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1
InChIInChI=1S/C20H31N5O/c1-15-5-2-3-9-24(15)14-19(26)25-10-7-18-17(13-25)12-22-20(23-18)16-6-4-8-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t15-,16-/m1/s1
InChIKeyAKUAVLAEVFBKNY-HZPDHXFCSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-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-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92584217
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
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
(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-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
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
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124797650

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-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-[(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) is 2-[(2R)-2-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-[(2R)-2-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-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is C[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is AKUAVLAEVFBKNY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-5-2-3-9-24(15)14-19(26)25-10-7-18-17(13-25)12-22-20(23-18)16-6-4-8-21-11-16/h12,15-16,21H,2-11,13-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-[(2R)-2-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 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-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 92583945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).