4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C21H25FN2O4 — CID 46215547

IUPAC4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)N2CCC(c3cc(F)c(O)cc3O)CC2)cc1
InChIInChI=1S/C21H25FN2O4/c1-13(14-3-5-16(28-2)6-4-14)23-21(27)24-9-7-15(8-10-24)17-11-18(22)20(26)12-19(17)25/h3-6,11-13,15,25-26H,7-10H2,1-2H3,(H,23,27)/t13-/m0/s1
InChIKeyWVVVIGNWZGMURI-ZDUSSCGKSA-N
MW388.44 g/mol
LogP3.90
Rot. Bonds4

About 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 46215547) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID46215547
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)N2CCC(c3cc(F)c(O)cc3O)CC2)cc1
InChIInChI=1S/C21H25FN2O4/c1-13(14-3-5-16(28-2)6-4-14)23-21(27)24-9-7-15(8-10-24)17-11-18(22)20(26)12-19(17)25/h3-6,11-13,15,25-26H,7-10H2,1-2H3,(H,23,27)/t13-/m0/s1
InChIKeyWVVVIGNWZGMURI-ZDUSSCGKSA-N
XLogP3.90
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 46214870
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
methyl 1-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoyl]piperidine-4-carboxylate
CID 124562986
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 137343816
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 46215710
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
CID 94871502
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 119034624
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
CID 51091257

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 46215547) is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc([C@H](C)NC(=O)N2CCC(c3cc(F)c(O)cc3O)CC2)cc1.
What is the InChIKey of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is WVVVIGNWZGMURI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-13(14-3-5-16(28-2)6-4-14)23-21(27)24-9-7-15(8-10-24)17-11-18(22)20(26)12-19(17)25/h3-6,11-13,15,25-26H,7-10H2,1-2H3,(H,23,27)/t13-/m0/s1.
What are the key properties of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46215547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).