N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

C21H31N3O2 — CID 124755525

IUPACN-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c1
InChIInChI=1S/C21H31N3O2/c1-16-7-8-17(2)19(13-16)22-20(25)9-12-23-10-3-5-18(14-23)15-24-11-4-6-21(24)26/h7-8,13,18H,3-6,9-12,14-15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyQQNIKBWROPLKQM-GOSISDBHSA-N
MW357.50 g/mol
LogP2.97
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 124755525) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID124755525
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c1
InChIInChI=1S/C21H31N3O2/c1-16-7-8-17(2)19(13-16)22-20(25)9-12-23-10-3-5-18(14-23)15-24-11-4-6-21(24)26/h7-8,13,18H,3-6,9-12,14-15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyQQNIKBWROPLKQM-GOSISDBHSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-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

N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124750444
N-(2-methoxyphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91832840
N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91843819
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
N-(2,5-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126793527
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (CID 124755525) is N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is QQNIKBWROPLKQM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-7-8-17(2)19(13-16)22-20(25)9-12-23-10-3-5-18(14-23)15-24-11-4-6-21(24)26/h7-8,13,18H,3-6,9-12,14-15H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 357.50 g/mol, XLogP of 2.97, 6 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-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 124755525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).