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

C24H32N2O — CID 30388448

IUPACN-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-4-5-20-8-12-23(13-9-20)25-24(27)22-10-6-21(7-11-22)18-26-16-14-19(2)15-17-26/h6-13,19H,3-5,14-18H2,1-2H3,(H,25,27)
InChIKeyFOIVPQDQPNNEIW-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.51
Rot. Bonds7

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

N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 30388448) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID30388448
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-4-5-20-8-12-23(13-9-20)25-24(27)22-10-6-21(7-11-22)18-26-16-14-19(2)15-17-26/h6-13,19H,3-5,14-18H2,1-2H3,(H,25,27)
InChIKeyFOIVPQDQPNNEIW-UHFFFAOYSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 30388448) is N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CCCCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is FOIVPQDQPNNEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-4-5-20-8-12-23(13-9-20)25-24(27)22-10-6-21(7-11-22)18-26-16-14-19(2)15-17-26/h6-13,19H,3-5,14-18H2,1-2H3,(H,25,27).
What are the key properties of N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 30388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).