N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

C21H30ClN3O2 — CID 124750444

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c(Cl)c1
InChIInChI=1S/C21H30ClN3O2/c1-15-11-16(2)21(18(22)12-15)23-19(26)7-10-24-8-3-5-17(13-24)14-25-9-4-6-20(25)27/h11-12,17H,3-10,13-14H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyCTQZSMTVGYDUJX-QGZVFWFLSA-N
MW391.94 g/mol
LogP3.62
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 124750444) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID124750444
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c(Cl)c1
InChIInChI=1S/C21H30ClN3O2/c1-15-11-16(2)21(18(22)12-15)23-19(26)7-10-24-8-3-5-17(13-24)14-25-9-4-6-20(25)27/h11-12,17H,3-10,13-14H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyCTQZSMTVGYDUJX-QGZVFWFLSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124755525
N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91843819
N-(2-methoxyphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91832840
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119915863
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119925776
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471
ethyl 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 16554662
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (CID 124750444) is N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is Cc1cc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is CTQZSMTVGYDUJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-15-11-16(2)21(18(22)12-15)23-19(26)7-10-24-8-3-5-17(13-24)14-25-9-4-6-20(25)27/h11-12,17H,3-10,13-14H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 391.94 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 124750444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).