1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid

C16H30N2O2 — CID 79651051

IUPAC1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCC1CCN(C2CCC(NCC)(C(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(12-14,15(19)20)17-4-2/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyKIERIUXVSHDHTI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds6

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

1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651051) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79651051
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCC1CCN(C2CCC(NCC)(C(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(12-14,15(19)20)17-4-2/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyKIERIUXVSHDHTI-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898
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-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79645417
1-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 79651051) is 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid is CCCC1CCN(C2CCC(NCC)(C(=O)O)C2)CC1.
What is the InChIKey of 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KIERIUXVSHDHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(12-14,15(19)20)17-4-2/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).