4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide

C23H29N3O2 — CID 3206736

IUPAC4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCC(C)C3)c(C)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-16-6-8-19(9-7-16)23(28)24-20-10-11-21(18(3)13-20)25-22(27)15-26-12-4-5-17(2)14-26/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHLPBLWGMKOITOK-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.23
Rot. Bonds5

About 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide

4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 3206736) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID3206736
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCC(C)C3)c(C)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-16-6-8-19(9-7-16)23(28)24-20-10-11-21(18(3)13-20)25-22(27)15-26-12-4-5-17(2)14-26/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHLPBLWGMKOITOK-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-[(3,4-dimethylphenyl)carbamoyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 9275400
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
5-[(4-methylbenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083649
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide (CID 3206736) is 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCC(C)C3)c(C)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is HLPBLWGMKOITOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-6-8-19(9-7-16)23(28)24-20-10-11-21(18(3)13-20)25-22(27)15-26-12-4-5-17(2)14-26/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 3206736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).