2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C16H27NO3 — CID 3655383

IUPAC2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC1CCCC(C)N1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO3/c1-12-6-5-7-13(2)17(12)14(18)10-16(11-15(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyLVQJCZNVSDLESH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 3655383) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID3655383
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC1CCCC(C)N1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO3/c1-12-6-5-7-13(2)17(12)14(18)10-16(11-15(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyLVQJCZNVSDLESH-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348562
1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic Acid
CID 943458
2-[1-[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348758
1,2,2-Trimethyl-3-(piperidine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151271
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
1,2,2-Trimethyl-3-[(4-methyl-1-piperidinyl)carbonyl]cyclopentanecarboxylic acid
CID 3655007
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
2-[1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655380
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-[Cyclohexyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4075760
(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
CID 95017407
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 3655383) is 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CC1CCCC(C)N1C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is LVQJCZNVSDLESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-6-5-7-13(2)17(12)14(18)10-16(11-15(19)20)8-3-4-9-16/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 3655383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).