1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C13H23ClN2O — CID 119783256

IUPAC1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESC=CC1CCN(C(=O)CC2CCCN2)CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-2-11-5-8-15(9-6-11)13(16)10-12-4-3-7-14-12;/h2,11-12,14H,1,3-10H2;1H
InChIKeyLBIXHWYXQGYCCF-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119783256) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119783256
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESC=CC1CCN(C(=O)CC2CCCN2)CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-2-11-5-8-15(9-6-11)13(16)10-12-4-3-7-14-12;/h2,11-12,14H,1,3-10H2;1H
InChIKeyLBIXHWYXQGYCCF-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
CID 119734420
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
2-[1-(2-piperidin-2-ylacetyl)piperidin-4-yl]acetamide
CID 54989150

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119783256) is 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is C=CC1CCN(C(=O)CC2CCCN2)CC1.Cl.
What is the InChIKey of 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is LBIXHWYXQGYCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-2-11-5-8-15(9-6-11)13(16)10-12-4-3-7-14-12;/h2,11-12,14H,1,3-10H2;1H.
What are the key properties of 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119783256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).