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

C21H26N2O3 — CID 6497480

IUPACN-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N2O3/c1-3-15(2)17-7-4-5-8-18(17)22-20(24)16-10-12-23(13-11-16)21(25)19-9-6-14-26-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyFNGCYCOCARXHCT-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.28
Rot. Bonds5

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

N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6497480) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6497480
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N2O3/c1-3-15(2)17-7-4-5-8-18(17)22-20(24)16-10-12-23(13-11-16)21(25)19-9-6-14-26-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyFNGCYCOCARXHCT-UHFFFAOYSA-N
XLogP4.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46419931
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6497480) is N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FNGCYCOCARXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-15(2)17-7-4-5-8-18(17)22-20(24)16-10-12-23(13-11-16)21(25)19-9-6-14-26-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6497480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).