2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

C19H28N2O — CID 47065520

IUPAC2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(C2CCCN2CC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28N2O/c1-15-6-3-8-17(12-15)18-9-5-10-20(18)14-19(22)21-11-4-7-16(2)13-21/h3,6,8,12,16,18H,4-5,7,9-11,13-14H2,1-2H3
InChIKeyYYKCVKUINFMAOF-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 47065520) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID47065520
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(C2CCCN2CC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28N2O/c1-15-6-3-8-17(12-15)18-9-5-10-20(18)14-19(22)21-11-4-7-16(2)13-21/h3,6,8,12,16,18H,4-5,7,9-11,13-14H2,1-2H3
InChIKeyYYKCVKUINFMAOF-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 98701473
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N-ethyl-N-methyl-3-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]propanamide
CID 97028192
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24629458
N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
CID 97201640
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110210643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 47065520) is 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone is Cc1cccc(C2CCCN2CC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is YYKCVKUINFMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-6-3-8-17(12-15)18-9-5-10-20(18)14-19(22)21-11-4-7-16(2)13-21/h3,6,8,12,16,18H,4-5,7,9-11,13-14H2,1-2H3.
What are the key properties of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 300.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 47065520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).