1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C15H29ClN2O — CID 119809613

IUPAC1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCCCC1C(C)CCCN1C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-6-14-12(2)7-5-10-17(14)15(18)11-13-8-4-9-16-13;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyFLMBVAZBXUIPKJ-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119809613) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119809613
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCCCC1C(C)CCCN1C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-6-14-12(2)7-5-10-17(14)15(18)11-13-8-4-9-16-13;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyFLMBVAZBXUIPKJ-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 119809602
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
(3-methyl-2-propylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119809617
1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791732
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119788481
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791797

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119809613) is 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is CCCC1C(C)CCCN1C(=O)CC1CCCN1.Cl.
What is the InChIKey of 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is FLMBVAZBXUIPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-6-14-12(2)7-5-10-17(14)15(18)11-13-8-4-9-16-13;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).