1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C17H30N2O2 — CID 79628523

IUPAC1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1C
InChIInChI=1S/C17H30N2O2/c1-12-5-4-10-19(13(12)2)15-6-3-9-17(11-15,16(20)21)18-14-7-8-14/h12-15,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyTWLHWAJYNVMHLY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.62
Rot. Bonds4

About 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79628523) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79628523
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1C
InChIInChI=1S/C17H30N2O2/c1-12-5-4-10-19(13(12)2)15-6-3-9-17(11-15,16(20)21)18-14-7-8-14/h12-15,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyTWLHWAJYNVMHLY-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651828
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 79628523) is 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1C.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is TWLHWAJYNVMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12-5-4-10-19(13(12)2)15-6-3-9-17(11-15,16(20)21)18-14-7-8-14/h12-15,18H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79628523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).