1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C17H29NO3 — CID 63160394

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCC1(CC)CCN(C(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C17H29NO3/c1-3-16(4-2)9-11-18(12-10-16)14(19)13-17(15(20)21)7-5-6-8-17/h3-13H2,1-2H3,(H,20,21)
InChIKeyAPHPLRRDWCIARR-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63160394) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63160394
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCC1(CC)CCN(C(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C17H29NO3/c1-3-16(4-2)9-11-18(12-10-16)14(19)13-17(15(20)21)7-5-6-8-17/h3-13H2,1-2H3,(H,20,21)
InChIKeyAPHPLRRDWCIARR-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 55135653
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43437351
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43590255
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63160394) is 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCC1(CC)CCN(C(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is APHPLRRDWCIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-16(4-2)9-11-18(12-10-16)14(19)13-17(15(20)21)7-5-6-8-17/h3-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63160394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).