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

C24H29NO5 — CID 55501802

IUPAC1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H29NO5/c1-3-16-29-21-8-10-22(11-9-21)30-17-23(26)25-14-12-19(13-15-25)24(27)18-4-6-20(28-2)7-5-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyQHNQARBVSHRXSE-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.98
Rot. Bonds9

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

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone (PubChem CID 55501802) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
PubChem CID55501802
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H29NO5/c1-3-16-29-21-8-10-22(11-9-21)30-17-23(26)25-14-12-19(13-15-25)24(27)18-4-6-20(28-2)7-5-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyQHNQARBVSHRXSE-UHFFFAOYSA-N
XLogP3.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
CID 130193111
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
4-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]butan-1-one
CID 134055781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone (CID 55501802) is 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone is CCCOc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
The InChIKey is QHNQARBVSHRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-3-16-29-21-8-10-22(11-9-21)30-17-23(26)25-14-12-19(13-15-25)24(27)18-4-6-20(28-2)7-5-18/h4-11,19H,3,12-17H2,1-2H3.
What are the key properties of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone?
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone has a molecular weight of 411.50 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone is sourced from PubChem (CID 55501802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).