N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C17H21N5O2 — CID 95760304

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C
InChIInChI=1S/C17H21N5O2/c1-11-12(2)24-17(14(11)8-18)20-16(23)10-22-7-3-4-13(9-22)15-5-6-19-21-15/h5-6,13H,3-4,7,9-10H2,1-2H3,(H,19,21)(H,20,23)/t13-/m1/s1
InChIKeyBKCALXKWRZMMSJ-CYBMUJFWSA-N
MW327.39 g/mol
LogP2.31
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 95760304) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID95760304
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C
InChIInChI=1S/C17H21N5O2/c1-11-12(2)24-17(14(11)8-18)20-16(23)10-22-7-3-4-13(9-22)15-5-6-19-21-15/h5-6,13H,3-4,7,9-10H2,1-2H3,(H,19,21)(H,20,23)/t13-/m1/s1
InChIKeyBKCALXKWRZMMSJ-CYBMUJFWSA-N
XLogP2.31
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 46402825
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 95978164
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]acetamide
CID 71878529
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 100836737
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86915581
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760394
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600995

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 95760304) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is BKCALXKWRZMMSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-12(2)24-17(14(11)8-18)20-16(23)10-22-7-3-4-13(9-22)15-5-6-19-21-15/h5-6,13H,3-4,7,9-10H2,1-2H3,(H,19,21)(H,20,23)/t13-/m1/s1.
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95760304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).