(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide

C21H25FN2O3 — CID 95267023

IUPAC(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C21H25FN2O3/c1-27-19-10-6-16(7-11-19)20(13-15-4-8-17(22)9-5-15)23-21(26)24-12-2-3-18(25)14-24/h4-11,18,20,25H,2-3,12-14H2,1H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyAMVBXVXSEFQABD-UYAOXDASSA-N
MW372.44 g/mol
LogP3.28
Rot. Bonds5

About (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide

(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 95267023) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID95267023
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C21H25FN2O3/c1-27-19-10-6-16(7-11-19)20(13-15-4-8-17(22)9-5-15)23-21(26)24-12-2-3-18(25)14-24/h4-11,18,20,25H,2-3,12-14H2,1H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyAMVBXVXSEFQABD-UYAOXDASSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide (CID 95267023) is (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide is COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CCC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is AMVBXVXSEFQABD-UYAOXDASSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-27-19-10-6-16(7-11-19)20(13-15-4-8-17(22)9-5-15)23-21(26)24-12-2-3-18(25)14-24/h4-11,18,20,25H,2-3,12-14H2,1H3,(H,23,26)/t18-,20-/m1/s1.
What are the key properties of (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95267023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).