[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

C18H26N2O — CID 119333493

IUPAC[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESCc1cccc(C2CCCN2C(=O)C2CCCNC2)c1C
InChIInChI=1S/C18H26N2O/c1-13-6-3-8-16(14(13)2)17-9-5-11-20(17)18(21)15-7-4-10-19-12-15/h3,6,8,15,17,19H,4-5,7,9-12H2,1-2H3
InChIKeySFNMSQXPHQQRKN-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.97
Rot. Bonds2

About [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119333493) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
PubChem CID119333493
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESCc1cccc(C2CCCN2C(=O)C2CCCNC2)c1C
InChIInChI=1S/C18H26N2O/c1-13-6-3-8-16(14(13)2)17-9-5-11-20(17)18(21)15-7-4-10-19-12-15/h3,6,8,15,17,19H,4-5,7,9-12H2,1-2H3
InChIKeySFNMSQXPHQQRKN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433
1,2,4-benzotriazin-3-yl-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 127265295
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 103775189

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (CID 119333493) is [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is Cc1cccc(C2CCCN2C(=O)C2CCCNC2)c1C.
What is the InChIKey of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is SFNMSQXPHQQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-3-8-16(14(13)2)17-9-5-11-20(17)18(21)15-7-4-10-19-12-15/h3,6,8,15,17,19H,4-5,7,9-12H2,1-2H3.
What are the key properties of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 286.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119333493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).