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

C17H21F2N3O3 — CID 35373996

IUPACN-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC1CC1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-14-4-2-1-3-13(14)16(24)22-9-7-21(8-10-22)11-15(23)20-12-5-6-12/h1-4,12,17H,5-11H2,(H,20,23)
InChIKeyQDVNUXVXXWRVCX-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.32
Rot. Bonds6

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

N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 35373996) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID35373996
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC NameN-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC1CC1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-14-4-2-1-3-13(14)16(24)22-9-7-21(8-10-22)11-15(23)20-12-5-6-12/h1-4,12,17H,5-11H2,(H,20,23)
InChIKeyQDVNUXVXXWRVCX-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
CID 39465986
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810204
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 38143722
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide (CID 35373996) is N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is QDVNUXVXXWRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c18-17(19)25-14-4-2-1-3-13(14)16(24)22-9-7-21(8-10-22)11-15(23)20-12-5-6-12/h1-4,12,17H,5-11H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 353.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 35373996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).