N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C21H26N2O — CID 43918767

IUPACN-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O/c1-17-11-13-23(14-12-17)16-19-7-9-20(10-8-19)21(24)22-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyAVVAEKZIMWTVDW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 43918767) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID43918767
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O/c1-17-11-13-23(14-12-17)16-19-7-9-20(10-8-19)21(24)22-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyAVVAEKZIMWTVDW-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 36543274
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 43918767) is N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is AVVAEKZIMWTVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-11-13-23(14-12-17)16-19-7-9-20(10-8-19)21(24)22-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24).
What are the key properties of N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 43918767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).