(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide

C17H20FN3O2 — CID 99584247

IUPAC(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
SMILESCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2F)o1
InChIInChI=1S/C17H20FN3O2/c1-11-6-8-21(15(9-11)16-4-3-12(2)23-16)17(22)20-14-5-7-19-10-13(14)18/h3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,19,20,22)/t11-,15+/m0/s1
InChIKeyIIJUKCXCQQZARI-XHDPSFHLSA-N
MW317.36 g/mol
LogP4.13
Rot. Bonds2

About (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide

(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide (PubChem CID 99584247) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
PubChem CID99584247
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
SMILESCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2F)o1
InChIInChI=1S/C17H20FN3O2/c1-11-6-8-21(15(9-11)16-4-3-12(2)23-16)17(22)20-14-5-7-19-10-13(14)18/h3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,19,20,22)/t11-,15+/m0/s1
InChIKeyIIJUKCXCQQZARI-XHDPSFHLSA-N
XLogP4.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 99586706
4-methyl-2-(5-methylfuran-2-yl)-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 86799946
4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71989175
4-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71925660
3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 86799712
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007974
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166411128
2-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007973
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide (CID 99584247) is (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide is Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2F)o1.
What is the InChIKey of (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The InChIKey is IIJUKCXCQQZARI-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-6-8-21(15(9-11)16-4-3-12(2)23-16)17(22)20-14-5-7-19-10-13(14)18/h3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,19,20,22)/t11-,15+/m0/s1.
What are the key properties of (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99584247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).