2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C24H30N2O2 — CID 110409373

IUPAC2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-20-9-11-22(12-10-20)28-19-23(27)25-17-13-24(14-18-25,26-15-5-6-16-26)21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-19H2,1H3
InChIKeyDGFJKHMKEGNBCS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 110409373) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID110409373
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-20-9-11-22(12-10-20)28-19-23(27)25-17-13-24(14-18-25,26-15-5-6-16-26)21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-19H2,1H3
InChIKeyDGFJKHMKEGNBCS-UHFFFAOYSA-N
XLogP3.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 108547925

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 110409373) is 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is DGFJKHMKEGNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-20-9-11-22(12-10-20)28-19-23(27)25-17-13-24(14-18-25,26-15-5-6-16-26)21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-19H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 378.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).