1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C21H24N4O2 — CID 70769405

IUPAC1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1
InChIInChI=1S/C21H24N4O2/c1-15-4-9-19(27-15)14-25-12-2-3-17(13-25)21(26)23-18-7-5-16(6-8-18)20-10-11-22-24-20/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)(H,23,26)
InChIKeyGFEPOBHEIPGRCP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.83
Rot. Bonds5

About 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 70769405) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID70769405
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1
InChIInChI=1S/C21H24N4O2/c1-15-4-9-19(27-15)14-25-12-2-3-17(13-25)21(26)23-18-7-5-16(6-8-18)20-10-11-22-24-20/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)(H,23,26)
InChIKeyGFEPOBHEIPGRCP-UHFFFAOYSA-N
XLogP3.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 72847310
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889939
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 70769405) is 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is GFEPOBHEIPGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-4-9-19(27-15)14-25-12-2-3-17(13-25)21(26)23-18-7-5-16(6-8-18)20-10-11-22-24-20/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 70769405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).