N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide

C26H28N2O — CID 139025450

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25H,16-21H2
InChIKeyBJPDWVPQDSVQKD-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.04
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide (PubChem CID 139025450) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
PubChem CID139025450
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25H,16-21H2
InChIKeyBJPDWVPQDSVQKD-UHFFFAOYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide (CID 139025450) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide is O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
The InChIKey is BJPDWVPQDSVQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25H,16-21H2.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide has a molecular weight of 384.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 139025450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).