1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 79651828

IUPAC1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C2CCC(NC3CC3)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C16H28N2O2/c1-11-6-8-18(12(2)9-11)14-5-7-16(10-14,15(19)20)17-13-3-4-13/h11-14,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyUJTNJYQTQMWESD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.23
Rot. Bonds4

About 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651828) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79651828
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C2CCC(NC3CC3)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C16H28N2O2/c1-11-6-8-18(12(2)9-11)14-5-7-16(10-14,15(19)20)17-13-3-4-13/h11-14,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyUJTNJYQTQMWESD-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647908
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
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-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 79651828) is 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is CC1CCN(C2CCC(NC3CC3)(C(=O)O)C2)C(C)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is UJTNJYQTQMWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11-6-8-18(12(2)9-11)14-5-7-16(10-14,15(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-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).