(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

C21H26N4O3 — CID 92594720

IUPAC(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O3/c1-27-16-3-4-17(19(11-16)28-2)21(26)25-9-6-14(7-10-25)20-23-13-15-12-22-8-5-18(15)24-20/h3-4,11,13-14,22H,5-10,12H2,1-2H3
InChIKeyGMFKTZWLRFRVAE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.16
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 92594720) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID92594720
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O3/c1-27-16-3-4-17(19(11-16)28-2)21(26)25-9-6-14(7-10-25)20-23-13-15-12-22-8-5-18(15)24-20/h3-4,11,13-14,22H,5-10,12H2,1-2H3
InChIKeyGMFKTZWLRFRVAE-UHFFFAOYSA-N
XLogP2.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241136
(2,5-dimethoxyphenyl)-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594485
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,6-dimethoxyphenyl)-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92600499
(3-methoxyphenyl)-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92599596
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549825
2-(4-methylphenyl)-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110241505
(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110241512
1-[4-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549001
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-(4-methoxyphenyl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92595620

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 92594720) is (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is GMFKTZWLRFRVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-16-3-4-17(19(11-16)28-2)21(26)25-9-6-14(7-10-25)20-23-13-15-12-22-8-5-18(15)24-20/h3-4,11,13-14,22H,5-10,12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92594720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).