2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide

C27H32N4O2 — CID 55382048

IUPAC2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-21(27(32)29-25-10-6-7-11-26(25)33-2)28-23-12-14-24(15-13-23)31-18-16-30(17-19-31)20-22-8-4-3-5-9-22/h3-15,21,28H,16-20H2,1-2H3,(H,29,32)
InChIKeyXWBUJMQJIMKTIP-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.46
Rot. Bonds8

About 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide

2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide (PubChem CID 55382048) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide
PubChem CID55382048
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-21(27(32)29-25-10-6-7-11-26(25)33-2)28-23-12-14-24(15-13-23)31-18-16-30(17-19-31)20-22-8-4-3-5-9-22/h3-15,21,28H,16-20H2,1-2H3,(H,29,32)
InChIKeyXWBUJMQJIMKTIP-UHFFFAOYSA-N
XLogP4.46
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46524125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide (CID 55382048) is 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is XWBUJMQJIMKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-21(27(32)29-25-10-6-7-11-26(25)33-2)28-23-12-14-24(15-13-23)31-18-16-30(17-19-31)20-22-8-4-3-5-9-22/h3-15,21,28H,16-20H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide?
2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 444.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 55382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).