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

C20H22F2N4O5 — CID 38143722

IUPAC2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C20H22F2N4O5/c21-19(22)31-16-6-2-1-5-15(16)18(28)26-9-7-25(8-10-26)13-17(27)24-20(29)23-12-14-4-3-11-30-14/h1-6,11,19H,7-10,12-13H2,(H2,23,24,27,29)
InChIKeyNLIVUUZTGAIPAZ-UHFFFAOYSA-N
MW436.42 g/mol
LogP1.66
Rot. Bonds7

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

2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 38143722) has the molecular formula C20H22F2N4O5 and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID38143722
Molecular FormulaC20H22F2N4O5
Molecular Weight436.42 g/mol
Exact Mass436.16
IUPAC Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C20H22F2N4O5/c21-19(22)31-16-6-2-1-5-15(16)18(28)26-9-7-25(8-10-26)13-17(27)24-20(29)23-12-14-4-3-11-30-14/h1-6,11,19H,7-10,12-13H2,(H2,23,24,27,29)
InChIKeyNLIVUUZTGAIPAZ-UHFFFAOYSA-N
XLogP1.66
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2697596
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932791
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37451220
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 38143722) is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is NLIVUUZTGAIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O5/c21-19(22)31-16-6-2-1-5-15(16)18(28)26-9-7-25(8-10-26)13-17(27)24-20(29)23-12-14-4-3-11-30-14/h1-6,11,19H,7-10,12-13H2,(H2,23,24,27,29).
What are the key properties of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 436.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 38143722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).