N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide

C22H26FN3O3 — CID 29207413

IUPACN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-20-8-4-18(5-9-20)22(28)24-10-11-25-12-14-26(15-13-25)21(27)16-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyVDSQPKPRXKWCMP-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.95
Rot. Bonds7

About N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 29207413) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
PubChem CID29207413
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-20-8-4-18(5-9-20)22(28)24-10-11-25-12-14-26(15-13-25)21(27)16-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyVDSQPKPRXKWCMP-UHFFFAOYSA-N
XLogP1.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
N-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 139726511
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide (CID 29207413) is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is VDSQPKPRXKWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-29-20-8-4-18(5-9-20)22(28)24-10-11-25-12-14-26(15-13-25)21(27)16-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,28).
What are the key properties of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 29207413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).