4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid

C17H25N3O3 — CID 141407714

IUPAC4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)NCc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C17H25N3O3/c1-17(2,3)14-12-19(9-10-20(14)16(22)23)15(21)18-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKFXNGDGRXNNYIY-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.61
Rot. Bonds2

About 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid

4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid (PubChem CID 141407714) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
PubChem CID141407714
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)NCc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C17H25N3O3/c1-17(2,3)14-12-19(9-10-20(14)16(22)23)15(21)18-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKFXNGDGRXNNYIY-UHFFFAOYSA-N
XLogP2.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110810660
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N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
(2S)-4-[4-(benzylamino)-3-(furan-2-carbonylamino)-4-oxobutyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 126601769
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
CID 69091830
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
CID 74251214
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461

Frequently Asked Questions

What is the IUPAC name of 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid (CID 141407714) is 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid is CC(C)(C)C1CN(C(=O)NCc2ccccc2)CCN1C(=O)O.
What is the InChIKey of 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid?
The InChIKey is KFXNGDGRXNNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)14-12-19(9-10-20(14)16(22)23)15(21)18-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid?
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid is sourced from PubChem (CID 141407714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).