N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

C20H25N3O — CID 11652722

IUPACN-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyZCHBUYAQIKDSED-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 11652722) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID11652722
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyZCHBUYAQIKDSED-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (CID 11652722) is N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is ZCHBUYAQIKDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 11652722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).