N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide

C21H28N4O — CID 174432133

IUPACN-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C21H28N4O/c1-17(26)23-10-9-19-8-7-18(15-21(19)22)16-24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-8,15H,9-14,16,22H2,1H3,(H,23,26)
InChIKeyXVMANUBILADLHN-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.27
Rot. Bonds6

About N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide

N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide (PubChem CID 174432133) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
PubChem CID174432133
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C21H28N4O/c1-17(26)23-10-9-19-8-7-18(15-21(19)22)16-24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-8,15H,9-14,16,22H2,1H3,(H,23,26)
InChIKeyXVMANUBILADLHN-UHFFFAOYSA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-amino-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 18423147
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
CID 139880412
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
N-[2-nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetamide
CID 11002720
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
2,3-dimethoxy-5-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 82183738
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide (CID 174432133) is N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1N.
What is the InChIKey of N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide?
The InChIKey is XVMANUBILADLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17(26)23-10-9-19-8-7-18(15-21(19)22)16-24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-8,15H,9-14,16,22H2,1H3,(H,23,26).
What are the key properties of N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide?
N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 174432133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).