2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

C13H26ClN3O — CID 119933610

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN1CC[C@H](N)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-12-5-3-4-7-16(12)13(17)10-15-8-6-11(14)9-15;/h11-12H,2-10,14H2,1H3;1H/t11-,12?;/m0./s1
InChIKeyLGMKPKPDGSYMPE-YLIVSKOQSA-N
MW275.82 g/mol
LogP1.23
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119933610) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119933610
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN1CC[C@H](N)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-12-5-3-4-7-16(12)13(17)10-15-8-6-11(14)9-15;/h11-12H,2-10,14H2,1H3;1H/t11-,12?;/m0./s1
InChIKeyLGMKPKPDGSYMPE-YLIVSKOQSA-N
XLogP1.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114681192
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 119926286
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (CID 119933610) is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is CCC1CCCCN1C(=O)CN1CC[C@H](N)C1.Cl.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is LGMKPKPDGSYMPE-YLIVSKOQSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-2-12-5-3-4-7-16(12)13(17)10-15-8-6-11(14)9-15;/h11-12H,2-10,14H2,1H3;1H/t11-,12?;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119933610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).