2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid

C16H28N2O3 — CID 62690107

IUPAC2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESCN(C(=O)CN1CCCC(CC(=O)O)C1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(14-7-3-2-4-8-14)15(19)12-18-9-5-6-13(11-18)10-16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyPXRUKEMKFPUNTH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid

2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid (PubChem CID 62690107) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
PubChem CID62690107
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESCN(C(=O)CN1CCCC(CC(=O)O)C1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(14-7-3-2-4-8-14)15(19)12-18-9-5-6-13(11-18)10-16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyPXRUKEMKFPUNTH-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617338
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324654
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid (CID 62690107) is 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid is CN(C(=O)CN1CCCC(CC(=O)O)C1)C1CCCCC1.
What is the InChIKey of 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid?
The InChIKey is PXRUKEMKFPUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(14-7-3-2-4-8-14)15(19)12-18-9-5-6-13(11-18)10-16(20)21/h13-14H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid?
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).