N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide

C20H31N3O — CID 124846510

IUPACN-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1
InChIInChI=1S/C20H31N3O/c1-15-7-8-16(2)19(12-15)21-20(24)9-11-22-13-18(14-22)23-10-5-4-6-17(23)3/h7-8,12,17-18H,4-6,9-11,13-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyIXADAHZEJRETEH-KRWDZBQOSA-N
MW329.49 g/mol
LogP3.19
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide (PubChem CID 124846510) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
PubChem CID124846510
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1
InChIInChI=1S/C20H31N3O/c1-15-7-8-16(2)19(12-15)21-20(24)9-11-22-13-18(14-22)23-10-5-4-6-17(23)3/h7-8,12,17-18H,4-6,9-11,13-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyIXADAHZEJRETEH-KRWDZBQOSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
CID 124751259
N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124755525
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dimethylphenyl)propanamide
CID 7987430
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide (CID 124846510) is N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide?
The InChIKey is IXADAHZEJRETEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15-7-8-16(2)19(12-15)21-20(24)9-11-22-13-18(14-22)23-10-5-4-6-17(23)3/h7-8,12,17-18H,4-6,9-11,13-14H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide is sourced from PubChem (CID 124846510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).