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

C26H29ClN2O — CID 146050387

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O.ClH/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;1H
InChIKeyPYWWOIUJVDWUNW-UHFFFAOYSA-N
MW420.98 g/mol
LogP5.46
Rot. Bonds6

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

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 146050387) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID146050387
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O.ClH/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;1H
InChIKeyPYWWOIUJVDWUNW-UHFFFAOYSA-N
XLogP5.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 55.46
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;hydrochloride?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride (CID 146050387) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride is Cl.O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is PYWWOIUJVDWUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O.ClH/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;1H.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 420.98 g/mol, XLogP of 5.46, 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;hydrochloride is sourced from PubChem (CID 146050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).