[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C25H31NO5 — CID 25473149

IUPAC[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OCC
InChIInChI=1S/C25H31NO5/c1-4-16-31-22-11-8-20(17-23(22)30-5-2)25(28)26-14-12-19(13-15-26)24(27)18-6-9-21(29-3)10-7-18/h6-11,17,19H,4-5,12-16H2,1-3H3
InChIKeyLORAXYKAAXUFIV-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.62
Rot. Bonds9

About [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 25473149) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID25473149
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OCC
InChIInChI=1S/C25H31NO5/c1-4-16-31-22-11-8-20(17-23(22)30-5-2)25(28)26-14-12-19(13-15-26)24(27)18-6-9-21(29-3)10-7-18/h6-11,17,19H,4-5,12-16H2,1-3H3
InChIKeyLORAXYKAAXUFIV-UHFFFAOYSA-N
XLogP4.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
[4-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119518919
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 25473149) is [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OCC.
What is the InChIKey of [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is LORAXYKAAXUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO5/c1-4-16-31-22-11-8-20(17-23(22)30-5-2)25(28)26-14-12-19(13-15-26)24(27)18-6-9-21(29-3)10-7-18/h6-11,17,19H,4-5,12-16H2,1-3H3.
What are the key properties of [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 425.53 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 25473149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).