[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

C26H30N2O3S — CID 39696938

IUPAC[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OCc1cscn1
InChIInChI=1S/C26H30N2O3S/c1-19-3-5-20(6-4-19)7-8-21-11-13-28(14-12-21)26(29)22-9-10-24(25(15-22)30-2)31-16-23-17-32-18-27-23/h3-6,9-10,15,17-18,21H,7-8,11-14,16H2,1-2H3
InChIKeyOGCQHVWCIUWUMG-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.52
Rot. Bonds8

About [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 39696938) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID39696938
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OCc1cscn1
InChIInChI=1S/C26H30N2O3S/c1-19-3-5-20(6-4-19)7-8-21-11-13-28(14-12-21)26(29)22-9-10-24(25(15-22)30-2)31-16-23-17-32-18-27-23/h3-6,9-10,15,17-18,21H,7-8,11-14,16H2,1-2H3
InChIKeyOGCQHVWCIUWUMG-UHFFFAOYSA-N
XLogP5.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32590507
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 46669710
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608437
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119469672
2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
CID 125120187
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 39696938) is [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OCc1cscn1.
What is the InChIKey of [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is OGCQHVWCIUWUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-19-3-5-20(6-4-19)7-8-21-11-13-28(14-12-21)26(29)22-9-10-24(25(15-22)30-2)31-16-23-17-32-18-27-23/h3-6,9-10,15,17-18,21H,7-8,11-14,16H2,1-2H3.
What are the key properties of [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 450.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 39696938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).