3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide

C15H30N4O — CID 79636383

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19-9-6-12(7-10-19)18(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,20)
InChIKeyOEHRICVMHFLFOA-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.40
Rot. Bonds4

About 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide

3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79636383) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79636383
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19-9-6-12(7-10-19)18(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,20)
InChIKeyOEHRICVMHFLFOA-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-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
1-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]cyclopentane-1-carboxamide
CID 79645865
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 103538200
1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 79636895
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
1-(methylamino)-3-(1-oxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 79641414
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide (CID 79636383) is 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(N2CCC(N(C)C)CC2)C1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is OEHRICVMHFLFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-17-15(14(16)20)8-4-5-13(11-15)19-9-6-12(7-10-19)18(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,20).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide?
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)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 3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).