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

C22H26N4O3 — CID 92549627

IUPAC1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1
InChIInChI=1S/C22H26N4O3/c1-15(27)25-11-9-19-17(14-25)12-23-21(24-19)16-6-5-10-26(13-16)22(28)18-7-3-4-8-20(18)29-2/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyMWYUSYIHDXNLNG-MRXNPFEDSA-N
MW394.48 g/mol
LogP2.41
Rot. Bonds3

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

1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92549627) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92549627
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1
InChIInChI=1S/C22H26N4O3/c1-15(27)25-11-9-19-17(14-25)12-23-21(24-19)16-6-5-10-26(13-16)22(28)18-7-3-4-8-20(18)29-2/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyMWYUSYIHDXNLNG-MRXNPFEDSA-N
XLogP2.41
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2-methoxyphenyl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241192
1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549727
1-[2-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 95850622
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
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110243565
1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92561410
(2,6-dimethoxyphenyl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92609056
1-[(3R)-3-[6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549101
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-[(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-[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-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92549627) is 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1.
What is the InChIKey of 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is MWYUSYIHDXNLNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(27)25-11-9-19-17(14-25)12-23-21(24-19)16-6-5-10-26(13-16)22(28)18-7-3-4-8-20(18)29-2/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 394.48 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92549627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).