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

C19H22FN3O3 — CID 37377039

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1F)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-5-2-3-6-16(15)20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyMXUKLPHMTIFXHL-AWEZNQCLSA-N
MW359.40 g/mol
LogP1.88
Rot. Bonds5

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

(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 37377039) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID37377039
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1F)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-5-2-3-6-16(15)20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyMXUKLPHMTIFXHL-AWEZNQCLSA-N
XLogP1.88
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108946239
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431809
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 37377039) is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NCc1ccccc1F)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is MXUKLPHMTIFXHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-14(18(24)21-13-15-5-2-3-6-16(15)20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 359.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 37377039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).