4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide

C17H27N3O — CID 70933120

IUPAC4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-12-20(16(21)18-17(2,3)4)11-10-19(14)13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,21)
InChIKeyVEMCHVJQVJYDQG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.70
Rot. Bonds2

About 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide

4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide (PubChem CID 70933120) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
PubChem CID70933120
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-12-20(16(21)18-17(2,3)4)11-10-19(14)13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,21)
InChIKeyVEMCHVJQVJYDQG-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
CID 110662572
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
1-(4-benzyl-3-methylpiperazin-1-yl)octadecan-1-one
CID 68996989
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
(2S)-2-amino-1-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 119896976
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
3-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072537
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide (CID 70933120) is 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide is CC1CN(C(=O)NC(C)(C)C)CCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide?
The InChIKey is VEMCHVJQVJYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-12-20(16(21)18-17(2,3)4)11-10-19(14)13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,21).
What are the key properties of 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide?
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 70933120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).