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

C20H30N2O — CID 119698291

IUPAC1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCc1ccc(CCC2CCN(C(=O)CC3CCCN3)CC2)cc1
InChIInChI=1S/C20H30N2O/c1-16-4-6-17(7-5-16)8-9-18-10-13-22(14-11-18)20(23)15-19-3-2-12-21-19/h4-7,18-19,21H,2-3,8-15H2,1H3
InChIKeyHWPVQNGBXHPYPH-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.31
Rot. Bonds5

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

1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119698291) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119698291
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCc1ccc(CCC2CCN(C(=O)CC3CCCN3)CC2)cc1
InChIInChI=1S/C20H30N2O/c1-16-4-6-17(7-5-16)8-9-18-10-13-22(14-11-18)20(23)15-19-3-2-12-21-19/h4-7,18-19,21H,2-3,8-15H2,1H3
InChIKeyHWPVQNGBXHPYPH-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119708720
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
[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
2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698293
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119855182
3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55469761

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119698291) is 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone is Cc1ccc(CCC2CCN(C(=O)CC3CCCN3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is HWPVQNGBXHPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-4-6-17(7-5-16)8-9-18-10-13-22(14-11-18)20(23)15-19-3-2-12-21-19/h4-7,18-19,21H,2-3,8-15H2,1H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 314.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119698291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).