2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide

C24H31N3O2 — CID 51947424

IUPAC2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-25-24(29)14-20-9-11-23(12-10-20)26-19(2)28/h3-4,7-12,18H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1
InChIKeyVNSDVODHGXWLES-SFHVURJKSA-N
MW393.53 g/mol
LogP3.74
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide

2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 51947424) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID51947424
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-25-24(29)14-20-9-11-23(12-10-20)26-19(2)28/h3-4,7-12,18H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1
InChIKeyVNSDVODHGXWLES-SFHVURJKSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
tert-butyl N-[3-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 51948460
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide (CID 51947424) is 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is VNSDVODHGXWLES-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-25-24(29)14-20-9-11-23(12-10-20)26-19(2)28/h3-4,7-12,18H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 51947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).