N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide

C25H28N2O3 — CID 86873695

IUPACN-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1-c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-26-14-12-21(13-15-26)27(18-22-9-6-16-30-22)25(28)20-10-11-24(29-2)23(17-20)19-7-4-3-5-8-19/h3-11,16-17,21H,12-15,18H2,1-2H3
InChIKeyGXHHMTCZKNQXBH-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.69
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide

N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide (PubChem CID 86873695) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
PubChem CID86873695
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1-c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-26-14-12-21(13-15-26)27(18-22-9-6-16-30-22)25(28)20-10-11-24(29-2)23(17-20)19-7-4-3-5-8-19/h3-11,16-17,21H,12-15,18H2,1-2H3
InChIKeyGXHHMTCZKNQXBH-UHFFFAOYSA-N
XLogP4.69
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide (CID 86873695) is N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide is COc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide?
The InChIKey is GXHHMTCZKNQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-26-14-12-21(13-15-26)27(18-22-9-6-16-30-22)25(28)20-10-11-24(29-2)23(17-20)19-7-4-3-5-8-19/h3-11,16-17,21H,12-15,18H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide?
N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide is sourced from PubChem (CID 86873695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).