3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide

C20H23FN4O4 — CID 37375870

IUPAC3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O4/c21-15-3-5-16(6-4-15)25(8-7-18(22)26)19(27)14-23-9-11-24(12-10-23)20(28)17-2-1-13-29-17/h1-6,13H,7-12,14H2,(H2,22,26)
InChIKeyMTLNZUGNFUCOSK-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.09
Rot. Bonds7

About 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide (PubChem CID 37375870) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide
PubChem CID37375870
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O4/c21-15-3-5-16(6-4-15)25(8-7-18(22)26)19(27)14-23-9-11-24(12-10-23)20(28)17-2-1-13-29-17/h1-6,13H,7-12,14H2,(H2,22,26)
InChIKeyMTLNZUGNFUCOSK-UHFFFAOYSA-N
XLogP1.09
TPSA100.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
CID 39980549
3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
CID 39980651
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55935306
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
3-(4-fluoro-N-[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 35162340
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-[1-(4-fluorophenyl)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 51170789
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide (CID 37375870) is 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide is NC(=O)CCN(C(=O)CN1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide?
The InChIKey is MTLNZUGNFUCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c21-15-3-5-16(6-4-15)25(8-7-18(22)26)19(27)14-23-9-11-24(12-10-23)20(28)17-2-1-13-29-17/h1-6,13H,7-12,14H2,(H2,22,26).
What are the key properties of 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide has a molecular weight of 402.43 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide is sourced from PubChem (CID 37375870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).