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

C23H29N3O2 — CID 55362722

IUPACN-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-9-11-19(12-10-17)14-24-23(28)20-7-3-4-8-21(20)25-22(27)16-26-13-5-6-18(2)15-26/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyXUHOPZLENXCQFY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.60
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide (PubChem CID 55362722) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
PubChem CID55362722
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-9-11-19(12-10-17)14-24-23(28)20-7-3-4-8-21(20)25-22(27)16-26-13-5-6-18(2)15-26/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyXUHOPZLENXCQFY-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119679399
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119679398
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205
2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55848719
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide (CID 55362722) is N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The InChIKey is XUHOPZLENXCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-9-11-19(12-10-17)14-24-23(28)20-7-3-4-8-21(20)25-22(27)16-26-13-5-6-18(2)15-26/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55362722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).