2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone

C22H35N3O — CID 55345437

IUPAC2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2ccccc2CN(C)C2CCCCC2)C1
InChIInChI=1S/C22H35N3O/c1-18-9-8-14-25(16-18)22(26)15-23-21-13-7-6-10-19(21)17-24(2)20-11-4-3-5-12-20/h6-7,10,13,18,20,23H,3-5,8-9,11-12,14-17H2,1-2H3
InChIKeyMGSBUPIXKQCDDB-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.12
Rot. Bonds6

About 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 55345437) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID55345437
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2ccccc2CN(C)C2CCCCC2)C1
InChIInChI=1S/C22H35N3O/c1-18-9-8-14-25(16-18)22(26)15-23-21-13-7-6-10-19(21)17-24(2)20-11-4-3-5-12-20/h6-7,10,13,18,20,23H,3-5,8-9,11-12,14-17H2,1-2H3
InChIKeyMGSBUPIXKQCDDB-UHFFFAOYSA-N
XLogP4.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253057
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 55898345
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone (CID 55345437) is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CNc2ccccc2CN(C)C2CCCCC2)C1.
What is the InChIKey of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is MGSBUPIXKQCDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18-9-8-14-25(16-18)22(26)15-23-21-13-7-6-10-19(21)17-24(2)20-11-4-3-5-12-20/h6-7,10,13,18,20,23H,3-5,8-9,11-12,14-17H2,1-2H3.
What are the key properties of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 357.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55345437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).