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

C16H30N2O2 — CID 79651689

IUPAC3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20)7-5-14(10-16)18-8-6-12(3)9-13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyGISOMBJSCABSMZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds4

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

3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651689) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79651689
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20)7-5-14(10-16)18-8-6-12(3)9-13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyGISOMBJSCABSMZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651828
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
methyl 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647908
methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649532
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
3-(3-methylcyclohexyl)oxy-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634611

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79651689) is 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GISOMBJSCABSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20)7-5-14(10-16)18-8-6-12(3)9-13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).