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

C25H28N2O2 — CID 164851894

IUPACN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H28N2O2/c28-25(24-12-7-19-29-24)27(20-22-10-5-2-6-11-22)23-14-17-26(18-15-23)16-13-21-8-3-1-4-9-21/h1-12,19,23H,13-18,20H2
InChIKeyBRSYPDLBVOONCG-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.63
Rot. Bonds7

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

N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851894) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851894
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H28N2O2/c28-25(24-12-7-19-29-24)27(20-22-10-5-2-6-11-22)23-14-17-26(18-15-23)16-13-21-8-3-1-4-9-21/h1-12,19,23H,13-18,20H2
InChIKeyBRSYPDLBVOONCG-UHFFFAOYSA-N
XLogP4.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851894) is N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BRSYPDLBVOONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-25(24-12-7-19-29-24)27(20-22-10-5-2-6-11-22)23-14-17-26(18-15-23)16-13-21-8-3-1-4-9-21/h1-12,19,23H,13-18,20H2.
What are the key properties of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).