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

C16H30N2O2 — CID 79651186

IUPAC3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-4-13-6-9-18(10-7-13)14-5-8-16(11-14,15(19)20)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyNNNIJRDBSQTOEV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds5

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

3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651186) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79651186
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCCC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-4-13-6-9-18(10-7-13)14-5-8-16(11-14,15(19)20)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyNNNIJRDBSQTOEV-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
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-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79651186) is 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CCC1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NNNIJRDBSQTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-13-6-9-18(10-7-13)14-5-8-16(11-14,15(19)20)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).