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

C19H21FN4O4 — CID 36875873

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H21FN4O4/c20-15-5-3-14(4-6-15)18(26)24-9-7-23(8-10-24)13-17(25)22-19(27)21-12-16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H2,21,22,25,27)
InChIKeyFBRWWDCMPFUUIB-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.20
Rot. Bonds5

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

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 36875873) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID36875873
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H21FN4O4/c20-15-5-3-14(4-6-15)18(26)24-9-7-23(8-10-24)13-17(25)22-19(27)21-12-16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H2,21,22,25,27)
InChIKeyFBRWWDCMPFUUIB-UHFFFAOYSA-N
XLogP1.20
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875811
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 38143722
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2697596
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34650298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 36875873) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is FBRWWDCMPFUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c20-15-5-3-14(4-6-15)18(26)24-9-7-23(8-10-24)13-17(25)22-19(27)21-12-16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H2,21,22,25,27).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 388.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 36875873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).