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

C23H30N4O2 — CID 92593815

IUPAC1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C23H30N4O2/c1-3-29-20-9-7-18(8-10-20)15-27-12-5-4-6-22(27)23-24-14-19-16-26(17(2)28)13-11-21(19)25-23/h7-10,14,22H,3-6,11-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyJBDULKQGYZJBJO-JOCHJYFZSA-N
MW394.52 g/mol
LogP3.51
Rot. Bonds5

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

1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92593815) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92593815
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C23H30N4O2/c1-3-29-20-9-7-18(8-10-20)15-27-12-5-4-6-22(27)23-24-14-19-16-26(17(2)28)13-11-21(19)25-23/h7-10,14,22H,3-6,11-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyJBDULKQGYZJBJO-JOCHJYFZSA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593714
1-[2-[(2R)-1-[3-(4-methylphenoxy)propyl]pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92557963
1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240512
1-[2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549532
1-[2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240476
1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557746
1-[2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 98135305
1-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92549702
2-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 124799269
(4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 92549527
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110240484

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92593815) is 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1.
What is the InChIKey of 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is JBDULKQGYZJBJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-29-20-9-7-18(8-10-20)15-27-12-5-4-6-22(27)23-24-14-19-16-26(17(2)28)13-11-21(19)25-23/h7-10,14,22H,3-6,11-13,15-16H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92593815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).