2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide

C16H29N3O3 — CID 87000896

IUPAC2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)COC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-17-15(20)12-18-8-10-19(11-9-18)16(21)13-22-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,17,20)
InChIKeyOETIGPKEQFDOMX-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide

2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 87000896) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide
PubChem CID87000896
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)COC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-17-15(20)12-18-8-10-19(11-9-18)16(21)13-22-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,17,20)
InChIKeyOETIGPKEQFDOMX-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
CID 71887066
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 46448701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide (CID 87000896) is 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)COC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is OETIGPKEQFDOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-17-15(20)12-18-8-10-19(11-9-18)16(21)13-22-14-6-4-3-5-7-14/h14H,2-13H2,1H3,(H,17,20).
What are the key properties of 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 311.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 87000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).