2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide

C18H35N3O2 — CID 66864175

IUPAC2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1
InChIInChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyMATUOGWCRZILGZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.87
Rot. Bonds8

About 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide

2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide (PubChem CID 66864175) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
PubChem CID66864175
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1
InChIInChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyMATUOGWCRZILGZ-UHFFFAOYSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-morpholin-4-ylethylamino)propanamide
CID 3226810
N'-cyclohexyl-N-(2-morpholin-4-ylethyl)oxamide
CID 2873322
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 3258765
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
2-[[2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56796775
2-[[(2R)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344914
2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604307
N-cyclohexyl-2-(morpholin-4-yl)acetamide
CID 972576
1-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924223
4-(Oxan-2-ylmethyl)-5-(trifluoromethyl)piperazin-2-one
CID 115101420
N-[1-(2-cyclohexyloxyacetyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989593
N-[(3S,6R)-1-(2-cyclohexyloxyacetyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129506871

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide (CID 66864175) is 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide is CCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The InChIKey is MATUOGWCRZILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide is sourced from PubChem (CID 66864175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).