(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H23FN4O2 — CID 124607681

IUPAC(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-25-17(13-4-6-15(19)7-5-13)11-20-18(24)23-10-2-3-14(12-23)16-8-9-21-22-16/h4-9,14,17H,2-3,10-12H2,1H3,(H,20,24)(H,21,22)/t14-,17-/m1/s1
InChIKeyFYTJNZSRSOUEOD-RHSMWYFYSA-N
MW346.41 g/mol
LogP2.83
Rot. Bonds5

About (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 124607681) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID124607681
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-25-17(13-4-6-15(19)7-5-13)11-20-18(24)23-10-2-3-14(12-23)16-8-9-21-22-16/h4-9,14,17H,2-3,10-12H2,1H3,(H,20,24)(H,21,22)/t14-,17-/m1/s1
InChIKeyFYTJNZSRSOUEOD-RHSMWYFYSA-N
XLogP2.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867519
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768716
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607594
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 124607681) is (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccc(F)cc1.
What is the InChIKey of (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FYTJNZSRSOUEOD-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-17(13-4-6-15(19)7-5-13)11-20-18(24)23-10-2-3-14(12-23)16-8-9-21-22-16/h4-9,14,17H,2-3,10-12H2,1H3,(H,20,24)(H,21,22)/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124607681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).