2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide

C21H23F2N3O4 — CID 46493465

IUPAC2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC(F)F
InChIInChI=1S/C21H23F2N3O4/c1-29-17-8-7-15(13-18(17)30-21(22)23)20(28)26-11-9-25(10-12-26)14-19(27)24-16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3,(H,24,27)
InChIKeyLJGPQVZNJPEYSQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.69
Rot. Bonds7

About 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 46493465) has the molecular formula C21H23F2N3O4 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID46493465
Molecular FormulaC21H23F2N3O4
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC Name2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC(F)F
InChIInChI=1S/C21H23F2N3O4/c1-29-17-8-7-15(13-18(17)30-21(22)23)20(28)26-11-9-25(10-12-26)14-19(27)24-16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3,(H,24,27)
InChIKeyLJGPQVZNJPEYSQ-UHFFFAOYSA-N
XLogP2.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577
[4-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetyl]amino]phenyl] methyl carbonate
CID 150918073
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 16589746
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
2-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-1-yl]-N-phenylacetamide
CID 31694598
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55740839
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide;hydrochloride
CID 23323553

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide (CID 46493465) is 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide is COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC(F)F.
What is the InChIKey of 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is LJGPQVZNJPEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O4/c1-29-17-8-7-15(13-18(17)30-21(22)23)20(28)26-11-9-25(10-12-26)14-19(27)24-16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 419.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46493465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).