2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

C15H27N3O3 — CID 43521865

IUPAC2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCN(C(=O)CN1CCN(CC(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)14(19)11-17-7-9-18(10-8-17)12-15(20)21/h13H,2-12H2,1H3,(H,20,21)
InChIKeyNSDJCFUZYUCBLK-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.48
Rot. Bonds5

About 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (PubChem CID 43521865) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
PubChem CID43521865
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCN(C(=O)CN1CCN(CC(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)14(19)11-17-7-9-18(10-8-17)12-15(20)21/h13H,2-12H2,1H3,(H,20,21)
InChIKeyNSDJCFUZYUCBLK-UHFFFAOYSA-N
XLogP0.48
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689
N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
CID 95298972
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (CID 43521865) is 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is CN(C(=O)CN1CCN(CC(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The InChIKey is NSDJCFUZYUCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)14(19)11-17-7-9-18(10-8-17)12-15(20)21/h13H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).