N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C26H30N2O2 — CID 164851895

IUPACN-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(c1ccccc1)N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c1-21(23-11-6-3-7-12-23)28(26(29)25-13-8-20-30-25)24-15-18-27(19-16-24)17-14-22-9-4-2-5-10-22/h2-13,20-21,24H,14-19H2,1H3
InChIKeyQZSLGOLLSXTNGY-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.19
Rot. Bonds7

About N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851895) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851895
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(c1ccccc1)N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c1-21(23-11-6-3-7-12-23)28(26(29)25-13-8-20-30-25)24-15-18-27(19-16-24)17-14-22-9-4-2-5-10-22/h2-13,20-21,24H,14-19H2,1H3
InChIKeyQZSLGOLLSXTNGY-UHFFFAOYSA-N
XLogP5.19
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851895) is N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is CC(c1ccccc1)N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is QZSLGOLLSXTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-21(23-11-6-3-7-12-23)28(26(29)25-13-8-20-30-25)24-15-18-27(19-16-24)17-14-22-9-4-2-5-10-22/h2-13,20-21,24H,14-19H2,1H3.
What are the key properties of N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).