N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C19H20FN3O4 — CID 86926583

IUPACN-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H20FN3O4/c1-13(21-17(24)16-6-3-11-27-16)18(25)22-7-9-23(10-8-22)19(26)14-4-2-5-15(20)12-14/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyNSIRBNKWXHHFDO-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.52
Rot. Bonds4

About N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 86926583) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID86926583
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H20FN3O4/c1-13(21-17(24)16-6-3-11-27-16)18(25)22-7-9-23(10-8-22)19(26)14-4-2-5-15(20)12-14/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyNSIRBNKWXHHFDO-UHFFFAOYSA-N
XLogP1.52
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 41201756
N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 98173504
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 42678329
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 134045047
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 86926583) is N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is NSIRBNKWXHHFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-13(21-17(24)16-6-3-11-27-16)18(25)22-7-9-23(10-8-22)19(26)14-4-2-5-15(20)12-14/h2-6,11-13H,7-10H2,1H3,(H,21,24).
What are the key properties of N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86926583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).