N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide

C22H26FN3O3 — CID 60502336

IUPACN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
SMILESCOc1cc(C(=O)N2CCN(C(C)C(=O)Nc3ccccc3F)CC2)ccc1C
InChIInChI=1S/C22H26FN3O3/c1-15-8-9-17(14-20(15)29-3)22(28)26-12-10-25(11-13-26)16(2)21(27)24-19-7-5-4-6-18(19)23/h4-9,14,16H,10-13H2,1-3H3,(H,24,27)
InChIKeyANYYUMSOBWDADB-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.93
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide

N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide (PubChem CID 60502336) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
PubChem CID60502336
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
SMILESCOc1cc(C(=O)N2CCN(C(C)C(=O)Nc3ccccc3F)CC2)ccc1C
InChIInChI=1S/C22H26FN3O3/c1-15-8-9-17(14-20(15)29-3)22(28)26-12-10-25(11-13-26)16(2)21(27)24-19-7-5-4-6-18(19)23/h4-9,14,16H,10-13H2,1-3H3,(H,24,27)
InChIKeyANYYUMSOBWDADB-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 55544240
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 55841803
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42944385
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60505965

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide (CID 60502336) is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide is COc1cc(C(=O)N2CCN(C(C)C(=O)Nc3ccccc3F)CC2)ccc1C.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide?
The InChIKey is ANYYUMSOBWDADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-15-8-9-17(14-20(15)29-3)22(28)26-12-10-25(11-13-26)16(2)21(27)24-19-7-5-4-6-18(19)23/h4-9,14,16H,10-13H2,1-3H3,(H,24,27).
What are the key properties of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide?
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide has a molecular weight of 399.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60502336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).