1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

C15H30N4O — CID 79636895

IUPAC1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19(3)12-6-9-18(2)10-7-12/h12-13,17H,4-11H2,1-3H3,(H2,16,20)
InChIKeyVWLJMINFHRNVDB-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.40
Rot. Bonds4

About 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79636895) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID79636895
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19(3)12-6-9-18(2)10-7-12/h12-13,17H,4-11H2,1-3H3,(H2,16,20)
InChIKeyVWLJMINFHRNVDB-UHFFFAOYSA-N
XLogP0.40
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626764
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636383
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123
1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
CID 79634172
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (CID 79636895) is 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(N(C)C2CCN(C)CC2)C1.
What is the InChIKey of 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is VWLJMINFHRNVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19(3)12-6-9-18(2)10-7-12/h12-13,17H,4-11H2,1-3H3,(H2,16,20).
What are the key properties of 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79636895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).