3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

C15H29N3O — CID 79641849

IUPAC3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCCC(C)(C)C2)C1
InChIInChI=1S/C15H29N3O/c1-14(2)7-5-9-18(11-14)12-6-4-8-15(10-12,17-3)13(16)19/h12,17H,4-11H2,1-3H3,(H2,16,19)
InChIKeyALQLAEJADBXFDG-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds3

About 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79641849) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79641849
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCCC(C)(C)C2)C1
InChIInChI=1S/C15H29N3O/c1-14(2)7-5-9-18(11-14)12-6-4-8-15(10-12,17-3)13(16)19/h12,17H,4-11H2,1-3H3,(H2,16,19)
InChIKeyALQLAEJADBXFDG-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636383
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 103538200
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
1-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79636971
methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641601
3-[3-(methoxymethyl)piperidin-1-yl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588660

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (CID 79641849) is 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(N2CCCC(C)(C)C2)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is ALQLAEJADBXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)7-5-9-18(11-14)12-6-4-8-15(10-12,17-3)13(16)19/h12,17H,4-11H2,1-3H3,(H2,16,19).
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79641849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).