4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride

C23H31ClN2O — CID 68603812

IUPAC4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride
SMILESCC(C)CCN1CCC(c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-17(2)10-13-25-14-11-19(12-15-25)22-5-3-4-21(16-22)18-6-8-20(9-7-18)23(24)26;/h3-9,16-17,19H,10-15H2,1-2H3,(H2,24,26);1H
InChIKeyVDAQPTMADDAZMJ-UHFFFAOYSA-N
MW386.97 g/mol
LogP5.10
Rot. Bonds6

About 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride

4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride (PubChem CID 68603812) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride
PubChem CID68603812
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC Name4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride
SMILESCC(C)CCN1CCC(c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-17(2)10-13-25-14-11-19(12-15-25)22-5-3-4-21(16-22)18-6-8-20(9-7-18)23(24)26;/h3-9,16-17,19H,10-15H2,1-2H3,(H2,24,26);1H
InChIKeyVDAQPTMADDAZMJ-UHFFFAOYSA-N
XLogP5.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride (CID 68603812) is 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride is CC(C)CCN1CCC(c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1.Cl.
What is the InChIKey of 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The InChIKey is VDAQPTMADDAZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.ClH/c1-17(2)10-13-25-14-11-19(12-15-25)22-5-3-4-21(16-22)18-6-8-20(9-7-18)23(24)26;/h3-9,16-17,19H,10-15H2,1-2H3,(H2,24,26);1H.
What are the key properties of 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride?
4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 68603812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).