[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

C19H28N2O — CID 119275906

IUPAC[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1ccc(CCC2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-4-6-16(7-5-15)8-9-17-10-13-21(14-11-17)19(22)18-3-2-12-20-18/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyDQCZOIXZCMVLCU-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.92
Rot. Bonds4

About [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119275906) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119275906
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1ccc(CCC2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-4-6-16(7-5-15)8-9-17-10-13-21(14-11-17)19(22)18-3-2-12-20-18/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyDQCZOIXZCMVLCU-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-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

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119698256
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 119275906) is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is Cc1ccc(CCC2CCN(C(=O)C3CCCN3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is DQCZOIXZCMVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-4-6-16(7-5-15)8-9-17-10-13-21(14-11-17)19(22)18-3-2-12-20-18/h4-7,17-18,20H,2-3,8-14H2,1H3.
What are the key properties of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119275906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).