(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide

C19H23FN3O3+ — CID 9431809

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-4-6-16(20)7-5-15)22-8-10-23(11-9-22)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/p+1/t14-/m1/s1
InChIKeyKXEZOBAJEAAKND-CQSZACIVSA-O
MW360.41 g/mol
LogP0.46
Rot. Bonds5

About (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 9431809) has the molecular formula C19H23FN3O3+ and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
PubChem CID9431809
Molecular FormulaC19H23FN3O3+
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-4-6-16(20)7-5-15)22-8-10-23(11-9-22)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/p+1/t14-/m1/s1
InChIKeyKXEZOBAJEAAKND-CQSZACIVSA-O
XLogP0.46
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 8549233
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9431911
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431790
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9445018
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9276528
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431677
1-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443666
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42678153

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide (CID 9431809) is (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide is C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is KXEZOBAJEAAKND-CQSZACIVSA-O. The full InChI is InChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-4-6-16(20)7-5-15)22-8-10-23(11-9-22)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/p+1/t14-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 360.41 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9431809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).