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

C15H28N2O2 — CID 79651554

IUPAC3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CCC(C)(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(13(18)19)6-5-12(11-15)17-9-7-14(2,3)8-10-17/h12,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyLOHCNLPLVDUFTJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds4

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

3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651554) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79651554
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CCC(C)(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(13(18)19)6-5-12(11-15)17-9-7-14(2,3)8-10-17/h12,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyLOHCNLPLVDUFTJ-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79645417
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79651615
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046
1-(ethylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 102966325
1-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 106588655
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79651554) is 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N2CCC(C)(C)CC2)C1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is LOHCNLPLVDUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-16-15(13(18)19)6-5-12(11-15)17-9-7-14(2,3)8-10-17/h12,16H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.40 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 3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).