N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide

C27H30N4O2 — CID 52681744

IUPACN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O2/c32-26(19-28-27(33)24-9-5-2-6-10-24)29-25-13-11-23(12-14-25)21-31-17-15-30(16-18-31)20-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,28,33)(H,29,32)
InChIKeyHQZMDJQHOFHSQS-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.37
Rot. Bonds8

About N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide

N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide (PubChem CID 52681744) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
PubChem CID52681744
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O2/c32-26(19-28-27(33)24-9-5-2-6-10-24)29-25-13-11-23(12-14-25)21-31-17-15-30(16-18-31)20-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,28,33)(H,29,32)
InChIKeyHQZMDJQHOFHSQS-UHFFFAOYSA-N
XLogP3.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46669454
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide (CID 52681744) is N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is HQZMDJQHOFHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26(19-28-27(33)24-9-5-2-6-10-24)29-25-13-11-23(12-14-25)21-31-17-15-30(16-18-31)20-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,28,33)(H,29,32).
What are the key properties of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide?
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 52681744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).