ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone

C16H26N2O — CID 144655325

IUPACethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(Nc2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-11-4-3-5-14(10-11)15-13-6-8-16(9-7-13)12(2)17;1-2/h3-5,10,13,15H,6-9H2,1-2H3;1-2H3
InChIKeyQCGLHVVPYFJPTB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.44
Rot. Bonds2

About ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone

ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone (PubChem CID 144655325) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
PubChem CID144655325
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(Nc2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-11-4-3-5-14(10-11)15-13-6-8-16(9-7-13)12(2)17;1-2/h3-5,10,13,15H,6-9H2,1-2H3;1-2H3
InChIKeyQCGLHVVPYFJPTB-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylanilino)piperidin-1-yl]butan-1-one
CID 119892713
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
(2S)-2-[4-(3-methylanilino)piperidin-1-yl]butanoic acid
CID 129401602
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 127903587
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone (CID 144655325) is ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone is CC.CC(=O)N1CCC(Nc2cccc(C)c2)CC1.
What is the InChIKey of ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is QCGLHVVPYFJPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H6/c1-11-4-3-5-14(10-11)15-13-6-8-16(9-7-13)12(2)17;1-2/h3-5,10,13,15H,6-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone?
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 144655325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).