N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C21H25FN4O3 — CID 7336695

IUPACN-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O3/c1-29-19-4-2-3-18(13-19)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-17-7-5-16(22)6-8-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeySNWSPYRBRZFAAW-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.03
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 7336695) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID7336695
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O3/c1-29-19-4-2-3-18(13-19)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-17-7-5-16(22)6-8-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeySNWSPYRBRZFAAW-UHFFFAOYSA-N
XLogP2.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 27849701
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 7336695) is N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is SNWSPYRBRZFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-29-19-4-2-3-18(13-19)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-17-7-5-16(22)6-8-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 7336695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).