N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide

C22H28N4O2 — CID 11516456

IUPACN-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)ccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N4O2/c1-17(27)23-21-15-20(25-13-11-24(3)12-14-25)9-10-22(21)26(18(2)28)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,27)
InChIKeySPPYXPYZXSWNEF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.95
Rot. Bonds5

About N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide

N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 11516456) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID11516456
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)ccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N4O2/c1-17(27)23-21-15-20(25-13-11-24(3)12-14-25)9-10-22(21)26(18(2)28)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,27)
InChIKeySPPYXPYZXSWNEF-UHFFFAOYSA-N
XLogP2.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 50782983
benzyl-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamic acid
CID 70654869
2-[acetyl(2-methoxyethyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 134464811
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 155102286
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
CID 59454307
2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113167414
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
2-(N-acetyl-2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113168004
2-acetamido-5-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782397
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 11516456) is N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(=O)Nc1cc(N2CCN(C)CC2)ccc1N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is SPPYXPYZXSWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(27)23-21-15-20(25-13-11-24(3)12-14-25)9-10-22(21)26(18(2)28)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,27).
What are the key properties of N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 11516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).