1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide

C25H26N2O3 — CID 24790287

IUPAC1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)c1
InChIInChI=1S/C25H26N2O3/c1-18(28)21-6-2-5-19(15-21)16-27-13-3-7-22(17-27)25(29)26-23-11-9-20(10-12-23)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-17H2,1H3,(H,26,29)
InChIKeySXXQKDCXEMIHHA-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.00
Rot. Bonds6

About 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide

1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 24790287) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID24790287
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)c1
InChIInChI=1S/C25H26N2O3/c1-18(28)21-6-2-5-19(15-21)16-27-13-3-7-22(17-27)25(29)26-23-11-9-20(10-12-23)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-17H2,1H3,(H,26,29)
InChIKeySXXQKDCXEMIHHA-UHFFFAOYSA-N
XLogP5.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide (CID 24790287) is 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide is CC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)c1.
What is the InChIKey of 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is SXXQKDCXEMIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(28)21-6-2-5-19(15-21)16-27-13-3-7-22(17-27)25(29)26-23-11-9-20(10-12-23)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-17H2,1H3,(H,26,29).
What are the key properties of 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide?
1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).