N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide

C17H21F2N3O4 — CID 42944621

IUPACN-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C17H21F2N3O4/c1-11(20-12(2)23)15(24)21-6-8-22(9-7-21)16(25)13-4-3-5-14(10-13)26-17(18)19/h3-5,10-11,17H,6-9H2,1-2H3,(H,20,23)
InChIKeyRLYIVLHTQRVOCM-UHFFFAOYSA-N
MW369.37 g/mol
LogP1.10
Rot. Bonds5

About N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide

N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 42944621) has the molecular formula C17H21F2N3O4 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID42944621
Molecular FormulaC17H21F2N3O4
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC NameN-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C17H21F2N3O4/c1-11(20-12(2)23)15(24)21-6-8-22(9-7-21)16(25)13-4-3-5-14(10-13)26-17(18)19/h3-5,10-11,17H,6-9H2,1-2H3,(H,20,23)
InChIKeyRLYIVLHTQRVOCM-UHFFFAOYSA-N
XLogP1.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2312190
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
[4-(2-chloroethyl)piperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 63395341
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
1-[4-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18120080
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 167779887
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
[3-(difluoromethoxy)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325271
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42944385
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 42944621) is N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1.
What is the InChIKey of N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is RLYIVLHTQRVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O4/c1-11(20-12(2)23)15(24)21-6-8-22(9-7-21)16(25)13-4-3-5-14(10-13)26-17(18)19/h3-5,10-11,17H,6-9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 369.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 42944621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).