tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate

C19H33N3O4 — CID 145446627

IUPACtert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
SMILESCC(=O)NC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1
InChIInChI=1S/C19H33N3O4/c1-14(23)20-16(15-8-6-5-7-9-15)17(24)21-10-12-22(13-11-21)18(25)26-19(2,3)4/h15-16H,5-13H2,1-4H3,(H,20,23)
InChIKeyKPSGLMXYROABMR-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate

tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate (PubChem CID 145446627) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
PubChem CID145446627
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Nametert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
SMILESCC(=O)NC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1
InChIInChI=1S/C19H33N3O4/c1-14(23)20-16(15-8-6-5-7-9-15)17(24)21-10-12-22(13-11-21)18(25)26-19(2,3)4/h15-16H,5-13H2,1-4H3,(H,20,23)
InChIKeyKPSGLMXYROABMR-UHFFFAOYSA-N
XLogP2.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-(1-cycloheptyl-2-oxoethyl)piperazine-1-carboxylate
CID 58786584
4-[(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetyl]piperazine-1-carboxylic acid
CID 175352533
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
4-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2-methylpiperazine-1-carboxylic acid
CID 175258261
(2R)-2-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CID 73424753
N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
CID 97027395
tert-butyl 4-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]piperazine-1-carboxylate
CID 54469285
tert-butyl 4-[(2E)-1-cyclohexyl-2-hydroxyiminoethyl]piperazine-1-carboxylate
CID 58786427
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate (CID 145446627) is tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate is CC(=O)NC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1.
What is the InChIKey of tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate?
The InChIKey is KPSGLMXYROABMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-14(23)20-16(15-8-6-5-7-9-15)17(24)21-10-12-22(13-11-21)18(25)26-19(2,3)4/h15-16H,5-13H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 145446627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).