3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride

C10H20ClN3O2 — CID 119377596

IUPAC3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
SMILESCN(C)C(=O)CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-12(2)9(14)6-10(15)13-5-3-4-8(11)7-13;/h8H,3-7,11H2,1-2H3;1H
InChIKeyFNBGKXMFWKGOOJ-UHFFFAOYSA-N
MW249.74 g/mol
LogP-0.16
Rot. Bonds2

About 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride

3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride (PubChem CID 119377596) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
PubChem CID119377596
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Name3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
SMILESCN(C)C(=O)CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-12(2)9(14)6-10(15)13-5-3-4-8(11)7-13;/h8H,3-7,11H2,1-2H3;1H
InChIKeyFNBGKXMFWKGOOJ-UHFFFAOYSA-N
XLogP-0.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
CID 119381858
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride (CID 119377596) is 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride is CN(C)C(=O)CC(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride?
The InChIKey is FNBGKXMFWKGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c1-12(2)9(14)6-10(15)13-5-3-4-8(11)7-13;/h8H,3-7,11H2,1-2H3;1H.
What are the key properties of 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride?
3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride is sourced from PubChem (CID 119377596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).