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

C28H32N2O3 — CID 110092279

IUPAC[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCOCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1
InChIInChI=1S/C28H32N2O3/c1-4-33-19-21-8-10-23(11-9-21)28(31)30-14-12-22(13-15-30)27-18-25(16-20(2)29-27)24-6-5-7-26(17-24)32-3/h5-11,16-18,22H,4,12-15,19H2,1-3H3
InChIKeyZNOYDKQPPIDESN-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.62
Rot. Bonds7

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

[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110092279) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110092279
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCOCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1
InChIInChI=1S/C28H32N2O3/c1-4-33-19-21-8-10-23(11-9-21)28(31)30-14-12-22(13-15-30)27-18-25(16-20(2)29-27)24-6-5-7-26(17-24)32-3/h5-11,16-18,22H,4,12-15,19H2,1-3H3
InChIKeyZNOYDKQPPIDESN-UHFFFAOYSA-N
XLogP5.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-ethylthiadiazol-5-yl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092300
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 92593141
(3-tert-butyl-1-methylpyrazol-5-yl)-[(3R)-3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 124953561
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110092279) is [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is CCOCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1.
What is the InChIKey of [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ZNOYDKQPPIDESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-4-33-19-21-8-10-23(11-9-21)28(31)30-14-12-22(13-15-30)27-18-25(16-20(2)29-27)24-6-5-7-26(17-24)32-3/h5-11,16-18,22H,4,12-15,19H2,1-3H3.
What are the key properties of [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 444.58 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110092279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).