N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide

C24H32N2O4 — CID 108550065

IUPACN-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-24(2,3)18-8-10-20(11-9-18)29-16-5-7-22(27)26-14-12-19(13-15-26)25-23(28)21-6-4-17-30-21/h4,6,8-11,17,19H,5,7,12-16H2,1-3H3,(H,25,28)
InChIKeyWBWHLMZTJDYJRR-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.16
Rot. Bonds7

About N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 108550065) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID108550065
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-24(2,3)18-8-10-20(11-9-18)29-16-5-7-22(27)26-14-12-19(13-15-26)25-23(28)21-6-4-17-30-21/h4,6,8-11,17,19H,5,7,12-16H2,1-3H3,(H,25,28)
InChIKeyWBWHLMZTJDYJRR-UHFFFAOYSA-N
XLogP4.16
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930368
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
4-(4-tert-butylphenoxy)-N-[1-(2-cyanoacetyl)piperidin-4-yl]butanamide
CID 108553546
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
1-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536229
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide (CID 108550065) is N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide is CC(C)(C)c1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is WBWHLMZTJDYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-24(2,3)18-8-10-20(11-9-18)29-16-5-7-22(27)26-14-12-19(13-15-26)25-23(28)21-6-4-17-30-21/h4,6,8-11,17,19H,5,7,12-16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108550065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).