N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane

C21H37N3O — CID 162526511

IUPACN-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane
SMILESC.Cc1ccc(CN2CCN(CC(=O)NCCC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O.CH4/c1-17-5-7-18(8-6-17)15-22-11-13-23(14-12-22)16-19(24)21-10-9-20(2,3)4;/h5-8H,9-16H2,1-4H3,(H,21,24);1H4
InChIKeyREVGOSCHBKJGGI-UHFFFAOYSA-N
MW347.55 g/mol
LogP3.30
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane

N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane (PubChem CID 162526511) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane
PubChem CID162526511
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC NameN-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane
SMILESC.Cc1ccc(CN2CCN(CC(=O)NCCC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O.CH4/c1-17-5-7-18(8-6-17)15-22-11-13-23(14-12-22)16-19(24)21-10-9-20(2,3)4;/h5-8H,9-16H2,1-4H3,(H,21,24);1H4
InChIKeyREVGOSCHBKJGGI-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
2-[4-(carboxymethyl)-7-[(4-methylphenyl)methyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 170226705
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017511
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane (CID 162526511) is N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane is C.Cc1ccc(CN2CCN(CC(=O)NCCC(C)(C)C)CC2)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane?
The InChIKey is REVGOSCHBKJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.CH4/c1-17-5-7-18(8-6-17)15-22-11-13-23(14-12-22)16-19(24)21-10-9-20(2,3)4;/h5-8H,9-16H2,1-4H3,(H,21,24);1H4.
What are the key properties of N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane?
N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane has a molecular weight of 347.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane is sourced from PubChem (CID 162526511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).