[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C22H32N2O4 — CID 55662274

IUPAC[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1cc(C(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)ccc1OC
InChIInChI=1S/C22H32N2O4/c1-4-28-20-14-18(7-8-19(20)27-3)22(26)23-12-9-17(10-13-23)21(25)24-11-5-6-16(2)15-24/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3
InChIKeyFYNQAGIIRHHHCK-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.20
Rot. Bonds5

About [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 55662274) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID55662274
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1cc(C(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)ccc1OC
InChIInChI=1S/C22H32N2O4/c1-4-28-20-14-18(7-8-19(20)27-3)22(26)23-12-9-17(10-13-23)21(25)24-11-5-6-16(2)15-24/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3
InChIKeyFYNQAGIIRHHHCK-UHFFFAOYSA-N
XLogP3.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 55662113
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 55662274) is [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CCOc1cc(C(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)ccc1OC.
What is the InChIKey of [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FYNQAGIIRHHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-4-28-20-14-18(7-8-19(20)27-3)22(26)23-12-9-17(10-13-23)21(25)24-11-5-6-16(2)15-24/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3.
What are the key properties of [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 388.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55662274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).