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

C17H30N2O2 — CID 79633712

IUPAC1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-16(2)8-4-10-19(12-16)14-5-3-9-17(11-14,15(20)21)18-13-6-7-13/h13-14,18H,3-12H2,1-2H3,(H,20,21)
InChIKeyJSDMVDVRZFWLOY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.63
Rot. Bonds4

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

1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79633712) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79633712
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-16(2)8-4-10-19(12-16)14-5-3-9-17(11-14,15(20)21)18-13-6-7-13/h13-14,18H,3-12H2,1-2H3,(H,20,21)
InChIKeyJSDMVDVRZFWLOY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645176
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79628523
1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 79633712) is 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1(C)CCCN(C2CCCC(NC3CC3)(C(=O)O)C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is JSDMVDVRZFWLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)8-4-10-19(12-16)14-5-3-9-17(11-14,15(20)21)18-13-6-7-13/h13-14,18H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79633712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).