N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide

C21H24N2O2 — CID 109052045

IUPACN-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-9-10-19(16(2)13-15)22-20(24)17-7-6-8-18(14-17)21(25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyRMILCEFDNMEWAV-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.18
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide

N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109052045) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
PubChem CID109052045
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-9-10-19(16(2)13-15)22-20(24)17-7-6-8-18(14-17)21(25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyRMILCEFDNMEWAV-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108798
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide (CID 109052045) is N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is RMILCEFDNMEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-9-10-19(16(2)13-15)22-20(24)17-7-6-8-18(14-17)21(25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide?
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).