N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide

C25H35N3O2 — CID 55778329

IUPACN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-21(2)20-30-17-12-25(29)26-24-10-8-23(9-11-24)19-28-15-13-27(14-16-28)18-22-6-4-3-5-7-22/h3-11,21H,12-20H2,1-2H3,(H,26,29)
InChIKeyVZXSYYPDXTZCLX-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.01
Rot. Bonds10

About N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 55778329) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID55778329
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-21(2)20-30-17-12-25(29)26-24-10-8-23(9-11-24)19-28-15-13-27(14-16-28)18-22-6-4-3-5-7-22/h3-11,21H,12-20H2,1-2H3,(H,26,29)
InChIKeyVZXSYYPDXTZCLX-UHFFFAOYSA-N
XLogP4.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropoxy)-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 87028268
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
methyl 4-[3-(2-methylpropoxy)propanoylamino]benzoate
CID 38953143
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 51942158
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55688252
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide (CID 55778329) is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is VZXSYYPDXTZCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-21(2)20-30-17-12-25(29)26-24-10-8-23(9-11-24)19-28-15-13-27(14-16-28)18-22-6-4-3-5-7-22/h3-11,21H,12-20H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide?
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 409.57 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 55778329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).