tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate

C16H29N3O4 — CID 10806125

IUPACtert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-11(20)19-9-8-18(14(22)23-16(5,6)7)10-12(19)13(21)17-15(2,3)4/h12H,8-10H2,1-7H3,(H,17,21)/t12-/m1/s1
InChIKeyTWQPXXRQBNMLLT-GFCCVEGCSA-N
MW327.43 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate

tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate (PubChem CID 10806125) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
PubChem CID10806125
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-11(20)19-9-8-18(14(22)23-16(5,6)7)10-12(19)13(21)17-15(2,3)4/h12H,8-10H2,1-7H3,(H,17,21)/t12-/m1/s1
InChIKeyTWQPXXRQBNMLLT-GFCCVEGCSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl (2R)-2-(methoxymethylcarbamoyl)piperazine-1,4-dicarboxylate
CID 90099640
tert-butyl (3S)-4-[(2S)-3-amino-2-hydroxypropyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 18665370
(2S)-4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 95970021
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
3-(methylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 66856939
tert-butyl 4-acetyl-2-carbamoylpiperazine-1-carboxylate
CID 164925312
1-O-tert-butyl 3-O-methyl 4-(2,2,2-trifluoroacetyl)piperazine-1,3-dicarboxylate
CID 171493307
tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
CID 171557754
tert-butyl (3S)-4-[(2S)-3-azido-2-hydroxypropyl]-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 18665371
1-O-benzyl 4-O-tert-butyl 2-(propan-2-ylcarbamoyl)piperazine-1,4-dicarboxylate
CID 21059984
4-O-tert-butyl 1-O-prop-2-enyl 2-(2,2,2-trifluoroethylcarbamoyl)piperazine-1,4-dicarboxylate;ethane
CID 142189505
1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
CID 57362699

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate (CID 10806125) is tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate is CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is TWQPXXRQBNMLLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-11(20)19-9-8-18(14(22)23-16(5,6)7)10-12(19)13(21)17-15(2,3)4/h12H,8-10H2,1-7H3,(H,17,21)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate?
tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 10806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).