2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide

C25H27N3O3S — CID 86903151

IUPAC2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)N3CCCC(c4nccs4)C3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-31-22-10-6-18(7-11-22)15-23(29)27-16-19-4-8-20(9-5-19)25(30)28-13-2-3-21(17-28)24-26-12-14-32-24/h4-12,14,21H,2-3,13,15-17H2,1H3,(H,27,29)
InChIKeyJAXZOJUIIUVEBS-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.03
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide

2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 86903151) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID86903151
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)N3CCCC(c4nccs4)C3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-31-22-10-6-18(7-11-22)15-23(29)27-16-19-4-8-20(9-5-19)25(30)28-13-2-3-21(17-28)24-26-12-14-32-24/h4-12,14,21H,2-3,13,15-17H2,1H3,(H,27,29)
InChIKeyJAXZOJUIIUVEBS-UHFFFAOYSA-N
XLogP4.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10127481
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 25451717
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579512
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide (CID 86903151) is 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCCC(c4nccs4)C3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is JAXZOJUIIUVEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-31-22-10-6-18(7-11-22)15-23(29)27-16-19-4-8-20(9-5-19)25(30)28-13-2-3-21(17-28)24-26-12-14-32-24/h4-12,14,21H,2-3,13,15-17H2,1H3,(H,27,29).
What are the key properties of 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide?
2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 449.58 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 86903151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).