3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide

C22H27N3O2 — CID 55729046

IUPAC3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-18-8-10-20(11-9-18)24-22(27)19-6-3-7-21(13-19)23-17(2)26/h3,6-11,13,16H,4-5,12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySVTKHEKPXOBMGD-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.13
Rot. Bonds5

About 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide

3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 55729046) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID55729046
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-18-8-10-20(11-9-18)24-22(27)19-6-3-7-21(13-19)23-17(2)26/h3,6-11,13,16H,4-5,12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySVTKHEKPXOBMGD-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-nitrophenyl)benzamide
CID 93491882
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 87045978
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide (CID 55729046) is 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is SVTKHEKPXOBMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-18-8-10-20(11-9-18)24-22(27)19-6-3-7-21(13-19)23-17(2)26/h3,6-11,13,16H,4-5,12,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide?
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55729046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).