2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

C17H29NO3 — CID 43235005

IUPAC2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1CC(C)CN(C(=O)CC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-13-8-14(2)12-18(11-13)15(19)9-17(10-16(20)21)6-4-3-5-7-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyQEZZIWNNSOEIDZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235005) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235005
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1CC(C)CN(C(=O)CC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-13-8-14(2)12-18(11-13)15(19)9-17(10-16(20)21)6-4-3-5-7-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyQEZZIWNNSOEIDZ-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 63610859
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 64679856
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 61409048

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235005) is 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is CC1CC(C)CN(C(=O)CC2(CC(=O)O)CCCCC2)C1.
What is the InChIKey of 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is QEZZIWNNSOEIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-8-14(2)12-18(11-13)15(19)9-17(10-16(20)21)6-4-3-5-7-17/h13-14H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).