1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

C21H25N3O4 — CID 35685138

IUPAC1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-14(2)19(25)22-17-3-5-18(6-4-17)23-20(26)15-7-10-24(11-8-15)21(27)16-9-12-28-13-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyITSWQZGDBMVSDI-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.37
Rot. Bonds5

About 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 35685138) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID35685138
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-14(2)19(25)22-17-3-5-18(6-4-17)23-20(26)15-7-10-24(11-8-15)21(27)16-9-12-28-13-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyITSWQZGDBMVSDI-UHFFFAOYSA-N
XLogP3.37
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide (CID 35685138) is 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is ITSWQZGDBMVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)19(25)22-17-3-5-18(6-4-17)23-20(26)15-7-10-24(11-8-15)21(27)16-9-12-28-13-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 35685138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).