N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

C26H29ClN2O2 — CID 23112208

IUPACN-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1.Cl
InChIInChI=1S/C26H28N2O2.ClH/c1-30-24-12-8-11-23(18-24)27-26(29)21-13-14-25(20-9-4-2-5-10-20)22(17-21)19-28-15-6-3-7-16-28;/h2,4-5,8-14,17-18H,3,6-7,15-16,19H2,1H3,(H,27,29);1H
InChIKeyKNTGLWJZILUPSW-UHFFFAOYSA-N
MW436.98 g/mol
LogP6.02
Rot. Bonds6

About N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 23112208) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID23112208
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC NameN-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1.Cl
InChIInChI=1S/C26H28N2O2.ClH/c1-30-24-12-8-11-23(18-24)27-26(29)21-13-14-25(20-9-4-2-5-10-20)22(17-21)19-28-15-6-3-7-16-28;/h2,4-5,8-14,17-18H,3,6-7,15-16,19H2,1H3,(H,27,29);1H
InChIKeyKNTGLWJZILUPSW-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Mepronil
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Encainide Hydrochloride
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1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329893
2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide
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N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 23112208) is N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is COc1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is KNTGLWJZILUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.ClH/c1-30-24-12-8-11-23(18-24)27-26(29)21-13-14-25(20-9-4-2-5-10-20)22(17-21)19-28-15-6-3-7-16-28;/h2,4-5,8-14,17-18H,3,6-7,15-16,19H2,1H3,(H,27,29);1H.
What are the key properties of N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 436.98 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 23112208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).