1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 79649455

IUPAC1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C)CN(C2CCC(NC3CC3)(C(=O)O)C2)C1
InChIInChI=1S/C16H28N2O2/c1-11-7-12(2)10-18(9-11)14-5-6-16(8-14,15(19)20)17-13-3-4-13/h11-14,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyGOBSOBCMODYGHE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.09
Rot. Bonds4

About 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79649455) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79649455
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C)CN(C2CCC(NC3CC3)(C(=O)O)C2)C1
InChIInChI=1S/C16H28N2O2/c1-11-7-12(2)10-18(9-11)14-5-6-16(8-14,15(19)20)17-13-3-4-13/h11-14,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyGOBSOBCMODYGHE-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
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-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79634714
1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648492
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 79649455) is 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is CC1CC(C)CN(C2CCC(NC3CC3)(C(=O)O)C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GOBSOBCMODYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11-7-12(2)10-18(9-11)14-5-6-16(8-14,15(19)20)17-13-3-4-13/h11-14,17H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).