(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

C18H26N2O — CID 60979607

IUPAC(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2C2CCNCC2)c(C)c1
InChIInChI=1S/C18H26N2O/c1-13-5-6-16(14(2)12-13)18(21)20-11-3-4-17(20)15-7-9-19-10-8-15/h5-6,12,15,17,19H,3-4,7-11H2,1-2H3
InChIKeyCCYJCLGYFBRTPR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 60979607) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID60979607
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2C2CCNCC2)c(C)c1
InChIInChI=1S/C18H26N2O/c1-13-5-6-16(14(2)12-13)18(21)20-11-3-4-17(20)15-7-9-19-10-8-15/h5-6,12,15,17,19H,3-4,7-11H2,1-2H3
InChIKeyCCYJCLGYFBRTPR-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-hydroxy-4-methylphenyl)methanone
CID 65320490
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-methylphenyl)methanone
CID 81109880
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-3-ethylphenyl]-2,4-dimethylbenzamide
CID 142925173
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-amino-4-methylphenyl)methanone
CID 82753533
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride
CID 86785444
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (CID 60979607) is (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is Cc1ccc(C(=O)N2CCCC2C2CCNCC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is CCYJCLGYFBRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-5-6-16(14(2)12-13)18(21)20-11-3-4-17(20)15-7-9-19-10-8-15/h5-6,12,15,17,19H,3-4,7-11H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).