(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C27H30N2O4 — CID 110092290

IUPAC(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C)nc(C3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)c1
InChIInChI=1S/C27H30N2O4/c1-18-13-21(19-7-5-9-22(14-19)31-2)15-25(28-18)20-8-6-12-29(17-20)27(30)24-11-10-23(32-3)16-26(24)33-4/h5,7,9-11,13-16,20H,6,8,12,17H2,1-4H3
InChIKeyQENFDJXJLOUNTB-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.10
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110092290) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110092290
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C)nc(C3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)c1
InChIInChI=1S/C27H30N2O4/c1-18-13-21(19-7-5-9-22(14-19)31-2)15-25(28-18)20-8-6-12-29(17-20)27(30)24-11-10-23(32-3)16-26(24)33-4/h5,7,9-11,13-16,20H,6,8,12,17H2,1-4H3
InChIKeyQENFDJXJLOUNTB-UHFFFAOYSA-N
XLogP5.10
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
(4-ethylthiadiazol-5-yl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092300
(3-tert-butyl-1-methylpyrazol-5-yl)-[(3R)-3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 124953561
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 17491736
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 144740210

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110092290) is (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is COc1cccc(-c2cc(C)nc(C3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is QENFDJXJLOUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-18-13-21(19-7-5-9-22(14-19)31-2)15-25(28-18)20-8-6-12-29(17-20)27(30)24-11-10-23(32-3)16-26(24)33-4/h5,7,9-11,13-16,20H,6,8,12,17H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 446.55 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110092290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).