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

C24H30N2O4 — CID 110157371

IUPACN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
SMILESCOC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-29-18-12-14-26(15-13-18)22-20(25-24(28)17-8-4-2-5-9-17)16-21(23(22)27)30-19-10-6-3-7-11-19/h2-11,18,20-23,27H,12-16H2,1H3,(H,25,28)/t20-,21-,22+,23+/m1/s1
InChIKeyVPCYUKQRBLLUJK-LUKWVAJMSA-N
MW410.51 g/mol
LogP2.48
Rot. Bonds6

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

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide (PubChem CID 110157371) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
PubChem CID110157371
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
SMILESCOC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-29-18-12-14-26(15-13-18)22-20(25-24(28)17-8-4-2-5-9-17)16-21(23(22)27)30-19-10-6-3-7-11-19/h2-11,18,20-23,27H,12-16H2,1H3,(H,25,28)/t20-,21-,22+,23+/m1/s1
InChIKeyVPCYUKQRBLLUJK-LUKWVAJMSA-N
XLogP2.48
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
CID 110157740
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]-3-methoxybenzamide
CID 110153321
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
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
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-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
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)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
CID 110158004
N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide
CID 44634035

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide (CID 110157371) is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide is COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
The InChIKey is VPCYUKQRBLLUJK-LUKWVAJMSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-18-12-14-26(15-13-18)22-20(25-24(28)17-8-4-2-5-9-17)16-21(23(22)27)30-19-10-6-3-7-11-19/h2-11,18,20-23,27H,12-16H2,1H3,(H,25,28)/t20-,21-,22+,23+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide?
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide is sourced from PubChem (CID 110157371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).