N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide

C23H28N4O4 — CID 110157395

IUPACN-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C23H28N4O4/c1-16(28)26-11-13-27(14-12-26)21-19(25-23(30)18-9-5-6-10-24-18)15-20(22(21)29)31-17-7-3-2-4-8-17/h2-10,19-22,29H,11-15H2,1H3,(H,25,30)/t19-,20-,21+,22+/m1/s1
InChIKeySRMGLUMQIIYNLZ-CZYKHXBRSA-N
MW424.50 g/mol
LogP0.92
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide

N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide (PubChem CID 110157395) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
PubChem CID110157395
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C23H28N4O4/c1-16(28)26-11-13-27(14-12-26)21-19(25-23(30)18-9-5-6-10-24-18)15-20(22(21)29)31-17-7-3-2-4-8-17/h2-10,19-22,29H,11-15H2,1H3,(H,25,30)/t19-,20-,21+,22+/m1/s1
InChIKeySRMGLUMQIIYNLZ-CZYKHXBRSA-N
XLogP0.92
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[4-[(1S,2R,3R,5R)-5-amino-2-hydroxy-3-phenoxycyclopentyl]piperazin-1-yl]ethanone;dihydrochloride
CID 171687457
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
CID 110157740
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
N-[(1R,2S,3R,4R)-2-(4-tert-butylpiperidin-1-yl)-4-(2-fluorophenoxy)-3-hydroxycyclopentyl]pyridazine-3-carboxamide
CID 110158573
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide
CID 155912516
N-[(1R,2S,3R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 110155539

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide (CID 110157395) is N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide is CC(=O)N1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide?
The InChIKey is SRMGLUMQIIYNLZ-CZYKHXBRSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(28)26-11-13-27(14-12-26)21-19(25-23(30)18-9-5-6-10-24-18)15-20(22(21)29)31-17-7-3-2-4-8-17/h2-10,19-22,29H,11-15H2,1H3,(H,25,30)/t19-,20-,21+,22+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide?
N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 110157395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).