N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide

C17H25N3O2 — CID 110810660

IUPACN-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)15(21)19-9-11-20(12-10-19)16(22)18-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,22)
InChIKeyIUKVYJYCKWGXGY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.09
Rot. Bonds2

About N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide

N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide (PubChem CID 110810660) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
PubChem CID110810660
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)15(21)19-9-11-20(12-10-19)16(22)18-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,22)
InChIKeyIUKVYJYCKWGXGY-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzylazonane-1-carboxamide
CID 130689649
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 87000312
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 141407714
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
N-benzyl-4-butanoyl-1,4-diazepane-1-carboxamide
CID 110811324

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide (CID 110810660) is N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide is CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The InChIKey is IUKVYJYCKWGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)15(21)19-9-11-20(12-10-19)16(22)18-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,22).
What are the key properties of N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110810660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).