N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C25H34N2O3 — CID 46419931

IUPACN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-18(4)19-8-10-20(11-9-19)23(17(2)3)26-24(28)21-12-14-27(15-13-21)25(29)22-7-6-16-30-22/h6-11,16-18,21,23H,5,12-15H2,1-4H3,(H,26,28)
InChIKeyPLMYZSJIGVBWDX-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.16
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46419931) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID46419931
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-18(4)19-8-10-20(11-9-19)23(17(2)3)26-24(28)21-12-14-27(15-13-21)25(29)22-7-6-16-30-22/h6-11,16-18,21,23H,5,12-15H2,1-4H3,(H,26,28)
InChIKeyPLMYZSJIGVBWDX-UHFFFAOYSA-N
XLogP5.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
1-(furan-2-carbonyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 18153582
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037046

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 46419931) is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is CCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PLMYZSJIGVBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-18(4)19-8-10-20(11-9-19)23(17(2)3)26-24(28)21-12-14-27(15-13-21)25(29)22-7-6-16-30-22/h6-11,16-18,21,23H,5,12-15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46419931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).