N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide

C24H32N2O2 — CID 108737738

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)17-28-23-10-6-21(7-11-23)24(27)25-22-8-4-20(5-9-22)16-26-14-12-19(3)13-15-26/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)
InChIKeyUJILGWMMBWUYLX-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.21
Rot. Bonds7

About N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 108737738) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID108737738
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)17-28-23-10-6-21(7-11-23)24(27)25-22-8-4-20(5-9-22)16-26-14-12-19(3)13-15-26/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)
InChIKeyUJILGWMMBWUYLX-UHFFFAOYSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30400078
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22778353
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide (CID 108737738) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is UJILGWMMBWUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)17-28-23-10-6-21(7-11-23)24(27)25-22-8-4-20(5-9-22)16-26-14-12-19(3)13-15-26/h4-11,18-19H,12-17H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 380.53 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 108737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).