N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C19H30N2O — CID 133249994

IUPACN-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)C(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-14(2)16(4)20-19(22)18-7-5-17(6-8-18)13-21-11-9-15(3)10-12-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22)
InChIKeyPXANPXARFXANLY-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.69
Rot. Bonds5

About N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 133249994) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID133249994
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)C(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-14(2)16(4)20-19(22)18-7-5-17(6-8-18)13-21-11-9-15(3)10-12-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22)
InChIKeyPXANPXARFXANLY-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30400078
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94014059
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 133249994) is N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NC(C)C(C)C)cc2)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is PXANPXARFXANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)16(4)20-19(22)18-7-5-17(6-8-18)13-21-11-9-15(3)10-12-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22).
What are the key properties of N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 302.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 133249994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).