1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid

C17H28N2O4 — CID 4501291

IUPAC1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C17H28N2O4/c1-18(2)14(20)11-17(7-3-4-8-17)12-15(21)19-9-5-13(6-10-19)16(22)23/h13H,3-12H2,1-2H3,(H,22,23)
InChIKeyXIMLXEUMYHTRSG-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid

1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid (PubChem CID 4501291) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid
PubChem CID4501291
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C17H28N2O4/c1-18(2)14(20)11-17(7-3-4-8-17)12-15(21)19-9-5-13(6-10-19)16(22)23/h13H,3-12H2,1-2H3,(H,22,23)
InChIKeyXIMLXEUMYHTRSG-UHFFFAOYSA-N
XLogP1.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid (CID 4501291) is 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid is CN(C)C(=O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is XIMLXEUMYHTRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18(2)14(20)11-17(7-3-4-8-17)12-15(21)19-9-5-13(6-10-19)16(22)23/h13H,3-12H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid?
1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4501291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).