1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone

C24H29NO4 — CID 60552317

IUPAC1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29NO4/c1-3-16-28-21-8-10-22(11-9-21)29-17-23(26)25-14-12-20(13-15-25)24(27)19-6-4-18(2)5-7-19/h4-11,20H,3,12-17H2,1-2H3
InChIKeyJPFIRHWMCAVPME-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.28
Rot. Bonds8

About 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone

1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone (PubChem CID 60552317) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
PubChem CID60552317
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29NO4/c1-3-16-28-21-8-10-22(11-9-21)29-17-23(26)25-14-12-20(13-15-25)24(27)19-6-4-18(2)5-7-19/h4-11,20H,3,12-17H2,1-2H3
InChIKeyJPFIRHWMCAVPME-UHFFFAOYSA-N
XLogP4.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 119483421
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone (CID 60552317) is 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone is CCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The InChIKey is JPFIRHWMCAVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-16-28-21-8-10-22(11-9-21)29-17-23(26)25-14-12-20(13-15-25)24(27)19-6-4-18(2)5-7-19/h4-11,20H,3,12-17H2,1-2H3.
What are the key properties of 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone has a molecular weight of 395.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone is sourced from PubChem (CID 60552317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).