(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one

C19H26N2O2 — CID 95585392

IUPAC(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C19H26N2O2/c1-13-6-7-15(11-14(13)2)17-5-4-9-21(17)19(23)16-8-10-20(3)18(22)12-16/h6-7,11,16-17H,4-5,8-10,12H2,1-3H3/t16-,17+/m1/s1
InChIKeyKXTKSOKBGMDZNO-SJORKVTESA-N
MW314.43 g/mol
LogP2.84
Rot. Bonds2

About (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one

(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one (PubChem CID 95585392) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
PubChem CID95585392
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C19H26N2O2/c1-13-6-7-15(11-14(13)2)17-5-4-9-21(17)19(23)16-8-10-20(3)18(22)12-16/h6-7,11,16-17H,4-5,8-10,12H2,1-3H3/t16-,17+/m1/s1
InChIKeyKXTKSOKBGMDZNO-SJORKVTESA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130
1-[(3S)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95585399
(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365065
4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
CID 56814296
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 60589395
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 93240336
(1R,2S,6S,7R)-4-[(2S)-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124869737
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 55551293

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one (CID 95585392) is (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one is Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C.
What is the InChIKey of (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is KXTKSOKBGMDZNO-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-6-7-15(11-14(13)2)17-5-4-9-21(17)19(23)16-8-10-20(3)18(22)12-16/h6-7,11,16-17H,4-5,8-10,12H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 95585392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).