5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide

C23H30N2O4 — CID 47882723

IUPAC5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C23H30N2O4/c1-17-6-7-18(2)21(15-17)29-13-4-3-5-22(26)24-20-8-11-25(12-9-20)23(27)19-10-14-28-16-19/h6-7,10,14-16,20H,3-5,8-9,11-13H2,1-2H3,(H,24,26)
InChIKeyLRXMPOYWKYCIGZ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.87
Rot. Bonds8

About 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide

5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide (PubChem CID 47882723) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
PubChem CID47882723
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C23H30N2O4/c1-17-6-7-18(2)21(15-17)29-13-4-3-5-22(26)24-20-8-11-25(12-9-20)23(27)19-10-14-28-16-19/h6-7,10,14-16,20H,3-5,8-9,11-13H2,1-2H3,(H,24,26)
InChIKeyLRXMPOYWKYCIGZ-UHFFFAOYSA-N
XLogP3.87
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide (CID 47882723) is 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide is Cc1ccc(C)c(OCCCCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide?
The InChIKey is LRXMPOYWKYCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-6-7-18(2)21(15-17)29-13-4-3-5-22(26)24-20-8-11-25(12-9-20)23(27)19-10-14-28-16-19/h6-7,10,14-16,20H,3-5,8-9,11-13H2,1-2H3,(H,24,26).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide?
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide has a molecular weight of 398.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 47882723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).