4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide

C26H28ClN2O+ — CID 6968884

IUPAC4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27ClN2O/c27-24-8-4-5-9-25(24)28-26(30)23-12-10-22(11-13-23)19-29-16-14-21(15-17-29)18-20-6-2-1-3-7-20/h1-13,21H,14-19H2,(H,28,30)/p+1
InChIKeyQKKCIGUNBYUOTI-UHFFFAOYSA-O
MW419.98 g/mol
LogP4.63
Rot. Bonds6

About 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide

4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide (PubChem CID 6968884) has the molecular formula C26H28ClN2O+ and a molecular weight of 419.98 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide
PubChem CID6968884
Molecular FormulaC26H28ClN2O+
Molecular Weight419.98 g/mol
Exact Mass419.19
IUPAC Name4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27ClN2O/c27-24-8-4-5-9-25(24)28-26(30)23-12-10-22(11-13-23)19-29-16-14-21(15-17-29)18-20-6-2-1-3-7-20/h1-13,21H,14-19H2,(H,28,30)/p+1
InChIKeyQKKCIGUNBYUOTI-UHFFFAOYSA-O
XLogP4.63
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 7430136
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
CID 7375018
4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-phenylbenzamide
CID 8704618
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
N-(2,5-dichlorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2211142
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-methylbenzamide
CID 4048530

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide (CID 6968884) is 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide?
The InChIKey is QKKCIGUNBYUOTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H27ClN2O/c27-24-8-4-5-9-25(24)28-26(30)23-12-10-22(11-13-23)19-29-16-14-21(15-17-29)18-20-6-2-1-3-7-20/h1-13,21H,14-19H2,(H,28,30)/p+1.
What are the key properties of 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide?
4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide has a molecular weight of 419.98 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 6968884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).