1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone

C16H30N2O — CID 113448833

IUPAC1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-17-10-8-14(9-11-17)12-18(2)13-16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyWLVWRUBDGWKFMG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

About 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone

1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone (PubChem CID 113448833) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
PubChem CID113448833
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
SMILESCN1CCC(CN(C)CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-17-10-8-14(9-11-17)12-18(2)13-16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyWLVWRUBDGWKFMG-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750663

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone (CID 113448833) is 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone is CN1CCC(CN(C)CC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone?
The InChIKey is WLVWRUBDGWKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-10-8-14(9-11-17)12-18(2)13-16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone?
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone is sourced from PubChem (CID 113448833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).