(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2 — CID 9392063

IUPAC(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1C
InChIInChI=1S/C19H26N2O2/c1-13-5-4-8-20(11-13)19(23)16-10-18(22)21(12-16)17-7-6-14(2)15(3)9-17/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyMYNVIWDCXYRGTB-CZUORRHYSA-N
MW314.43 g/mol
LogP2.91
Rot. Bonds2

About (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9392063) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9392063
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1C
InChIInChI=1S/C19H26N2O2/c1-13-5-4-8-20(11-13)19(23)16-10-18(22)21(12-16)17-7-6-14(2)15(3)9-17/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyMYNVIWDCXYRGTB-CZUORRHYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
5-[1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541259
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
4-(azepane-1-carbonyl)-1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
CID 113188098
1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90540191

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 9392063) is (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1C.
What is the InChIKey of (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MYNVIWDCXYRGTB-CZUORRHYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-5-4-8-20(11-13)19(23)16-10-18(22)21(12-16)17-7-6-14(2)15(3)9-17/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9392063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).