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

C21H26N4O3 — CID 110241136

IUPAC(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ncc4c(n3)CCNC4)C2)c(OC)c1
InChIInChI=1S/C21H26N4O3/c1-27-16-5-6-17(19(10-16)28-2)21(26)25-9-3-4-14(13-25)20-23-12-15-11-22-8-7-18(15)24-20/h5-6,10,12,14,22H,3-4,7-9,11,13H2,1-2H3
InChIKeyWZXYSKSTVRWISW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.16
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 110241136) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID110241136
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ncc4c(n3)CCNC4)C2)c(OC)c1
InChIInChI=1S/C21H26N4O3/c1-27-16-5-6-17(19(10-16)28-2)21(26)25-9-3-4-14(13-25)20-23-12-15-11-22-8-7-18(15)24-20/h5-6,10,12,14,22H,3-4,7-9,11,13H2,1-2H3
InChIKeyWZXYSKSTVRWISW-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

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Related Compounds

(2,5-dimethoxyphenyl)-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594485
(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594720
(2-methoxyphenyl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241192
1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586468
1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549627
[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92584750
(2S)-2-(2,4-dimethylphenoxy)-1-[(3R)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92556074
2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241149
2-cyclopentyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110241151
2-cyclopentyl-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92567837
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918435

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 110241136) is (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3ncc4c(n3)CCNC4)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is WZXYSKSTVRWISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-16-5-6-17(19(10-16)28-2)21(26)25-9-3-4-14(13-25)20-23-12-15-11-22-8-7-18(15)24-20/h5-6,10,12,14,22H,3-4,7-9,11,13H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-(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)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110241136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).