2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

C21H30N2O2 — CID 110244181

IUPAC2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-9-18(10-8-16)21(2,3)20(25)23-14-11-17(15-23)19(24)22-12-5-4-6-13-22/h7-10,17H,4-6,11-15H2,1-3H3
InChIKeyIMQAENBSXYKQIG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110244181) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110244181
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-9-18(10-8-16)21(2,3)20(25)23-14-11-17(15-23)19(24)22-12-5-4-6-13-22/h7-10,17H,4-6,11-15H2,1-3H3
InChIKeyIMQAENBSXYKQIG-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 119539241
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 110244181) is 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is Cc1ccc(C(C)(C)C(=O)N2CCC(C(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is IMQAENBSXYKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-7-9-18(10-8-16)21(2,3)20(25)23-14-11-17(15-23)19(24)22-12-5-4-6-13-22/h7-10,17H,4-6,11-15H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110244181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).