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

C19H26N2O2 — CID 26615613

IUPAC(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c(C)c1
InChIInChI=1S/C19H26N2O2/c1-13-6-7-17(15(3)9-13)21-12-16(10-18(21)22)19(23)20-8-4-5-14(2)11-20/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyWGQMLAMPWALGBL-GDBMZVCRSA-N
MW314.43 g/mol
LogP2.91
Rot. Bonds2

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

(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 26615613) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID26615613
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c(C)c1
InChIInChI=1S/C19H26N2O2/c1-13-6-7-17(15(3)9-13)21-12-16(10-18(21)22)19(23)20-8-4-5-14(2)11-20/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyWGQMLAMPWALGBL-GDBMZVCRSA-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

(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
(3R)-1-[(3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 94830850
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
(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
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 119594540
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160138

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 26615613) is (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c(C)c1.
What is the InChIKey of (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WGQMLAMPWALGBL-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-6-7-17(15(3)9-13)21-12-16(10-18(21)22)19(23)20-8-4-5-14(2)11-20/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2,4-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-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 26615613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).