N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide

C20H33N3O — CID 56517889

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C20H33N3O/c1-3-4-5-6-7-12-20(24)21-17-18-10-8-9-11-19(18)23-15-13-22(2)14-16-23/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
InChIKeyVOYUJECLRNZBAH-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.42
Rot. Bonds9

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide (PubChem CID 56517889) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
PubChem CID56517889
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C20H33N3O/c1-3-4-5-6-7-12-20(24)21-17-18-10-8-9-11-19(18)23-15-13-22(2)14-16-23/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
InChIKeyVOYUJECLRNZBAH-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 56517492
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56523285
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
4-(2,4-difluorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 56517196
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide (CID 56517889) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide is CCCCCCCC(=O)NCc1ccccc1N1CCN(C)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide?
The InChIKey is VOYUJECLRNZBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-4-5-6-7-12-20(24)21-17-18-10-8-9-11-19(18)23-15-13-22(2)14-16-23/h8-11H,3-7,12-17H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide has a molecular weight of 331.50 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide is sourced from PubChem (CID 56517889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).