1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide

C24H32N2O3 — CID 134048684

IUPAC1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)25-23(27)20-9-12-26(13-10-20)24(28)21-11-14-29-15-21/h5-8,11,14-17,20,22H,9-10,12-13H2,1-4H3,(H,25,27)
InChIKeyPJTWHYWHXDLPFJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.77
Rot. Bonds6

About 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 134048684) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
PubChem CID134048684
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)25-23(27)20-9-12-26(13-10-20)24(28)21-11-14-29-15-21/h5-8,11,14-17,20,22H,9-10,12-13H2,1-4H3,(H,25,27)
InChIKeyPJTWHYWHXDLPFJ-UHFFFAOYSA-N
XLogP4.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136516484
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566755
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46419931
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55647270

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide (CID 134048684) is 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide is CC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)C(C)C)cc1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is PJTWHYWHXDLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)25-23(27)20-9-12-26(13-10-20)24(28)21-11-14-29-15-21/h5-8,11,14-17,20,22H,9-10,12-13H2,1-4H3,(H,25,27).
What are the key properties of 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 134048684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).