3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride

C9H18ClN3O2 — CID 131089427

IUPAC3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
SMILESCC1CC(N)CCN1C(=O)CC(N)=O.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-6-4-7(10)2-3-12(6)9(14)5-8(11)13;/h6-7H,2-5,10H2,1H3,(H2,11,13);1H
InChIKeyWMGMPGUULVKWQJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP-0.38
Rot. Bonds2

About 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride

3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride (PubChem CID 131089427) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
PubChem CID131089427
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Name3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
SMILESCC1CC(N)CCN1C(=O)CC(N)=O.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-6-4-7(10)2-3-12(6)9(14)5-8(11)13;/h6-7H,2-5,10H2,1H3,(H2,11,13);1H
InChIKeyWMGMPGUULVKWQJ-UHFFFAOYSA-N
XLogP-0.38
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-methylpiperidin-1-yl)-2-(thian-4-yl)ethanone
CID 83135547
4-amino-N-butyl-2-methylpiperidine-1-carboxamide
CID 115312277
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 124682466
(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 113284369
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
CID 122149198
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
CID 124683352
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124689352
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride?
The IUPAC name of 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride (CID 131089427) is 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride.
What is the SMILES notation for 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride?
The canonical SMILES for 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride is CC1CC(N)CCN1C(=O)CC(N)=O.Cl.
What is the InChIKey of 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride?
The InChIKey is WMGMPGUULVKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c1-6-4-7(10)2-3-12(6)9(14)5-8(11)13;/h6-7H,2-5,10H2,1H3,(H2,11,13);1H.
What are the key properties of 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride?
3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride is sourced from PubChem (CID 131089427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).