2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone

C20H31N3O2 — CID 22677899

IUPAC2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NCC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-19-8-4-3-7-18(19)21-15-20(24)23-13-9-17(10-14-23)16-22-11-5-2-6-12-22/h3-4,7-8,17,21H,2,5-6,9-16H2,1H3
InChIKeyAFUFSZGQCMVIKT-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone

2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 22677899) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID22677899
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NCC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-19-8-4-3-7-18(19)21-15-20(24)23-13-9-17(10-14-23)16-22-11-5-2-6-12-22/h3-4,7-8,17,21H,2,5-6,9-16H2,1H3
InChIKeyAFUFSZGQCMVIKT-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
CID 119466852
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone (CID 22677899) is 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone is COc1ccccc1NCC(=O)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is AFUFSZGQCMVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-25-19-8-4-3-7-18(19)21-15-20(24)23-13-9-17(10-14-23)16-22-11-5-2-6-12-22/h3-4,7-8,17,21H,2,5-6,9-16H2,1H3.
What are the key properties of 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 22677899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).