4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide

C23H27FN2O4 — CID 110157992

IUPAC4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O4/c24-16-8-6-15(7-9-16)23(29)25-19-14-20(30-18-4-2-1-3-5-18)22(28)21(19)26-12-10-17(27)11-13-26/h1-9,17,19-22,27-28H,10-14H2,(H,25,29)/t19-,20-,21+,22+/m1/s1
InChIKeyIEGIQALDFNKNFZ-CZYKHXBRSA-N
MW414.48 g/mol
LogP1.96
Rot. Bonds5

About 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide

4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide (PubChem CID 110157992) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
PubChem CID110157992
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O4/c24-16-8-6-15(7-9-16)23(29)25-19-14-20(30-18-4-2-1-3-5-18)22(28)21(19)26-12-10-17(27)11-13-26/h1-9,17,19-22,27-28H,10-14H2,(H,25,29)/t19-,20-,21+,22+/m1/s1
InChIKeyIEGIQALDFNKNFZ-CZYKHXBRSA-N
XLogP1.96
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide with MolForge

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Related Compounds

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157371
[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
CID 110157524
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
CID 110157740
tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate
CID 110157706
N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
CID 110157395
3-[[(1R,2S,3R,4R)-2-(4,4-difluoropiperidin-1-yl)-4-(2-fluorophenoxy)-3-hydroxycyclopentyl]carbamoyl]benzoic acid
CID 155984297
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide (CID 110157992) is 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide is O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The InChIKey is IEGIQALDFNKNFZ-CZYKHXBRSA-N. The full InChI is InChI=1S/C23H27FN2O4/c24-16-8-6-15(7-9-16)23(29)25-19-14-20(30-18-4-2-1-3-5-18)22(28)21(19)26-12-10-17(27)11-13-26/h1-9,17,19-22,27-28H,10-14H2,(H,25,29)/t19-,20-,21+,22+/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide is sourced from PubChem (CID 110157992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).