ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C21H34N2O3 — CID 142232731

IUPACethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC.COc1ccccc1OCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O3.C2H6/c1-23-17-7-3-4-8-18(17)24-15-19(22)21-13-9-16(10-14-21)20-11-5-2-6-12-20;1-2/h3-4,7-8,16H,2,5-6,9-15H2,1H3;1-2H3
InChIKeyZAJSACDPVGWEAM-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.58
Rot. Bonds5

About ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 142232731) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID142232731
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Nameethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC.COc1ccccc1OCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O3.C2H6/c1-23-17-7-3-4-8-18(17)24-15-19(22)21-13-9-16(10-14-21)20-11-5-2-6-12-20;1-2/h3-4,7-8,16H,2,5-6,9-15H2,1H3;1-2H3
InChIKeyZAJSACDPVGWEAM-UHFFFAOYSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 142232731) is ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC.COc1ccccc1OCC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is ZAJSACDPVGWEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.C2H6/c1-23-17-7-3-4-8-18(17)24-15-19(22)21-13-9-16(10-14-21)20-11-5-2-6-12-20;1-2/h3-4,7-8,16H,2,5-6,9-15H2,1H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 362.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 142232731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).