3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride

C14H28ClN3O — CID 120772686

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
SMILESCC(C)N1CCCC(N2CCC(C)(CN)C2)C1=O.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-11(2)17-7-4-5-12(13(17)18)16-8-6-14(3,9-15)10-16;/h11-12H,4-10,15H2,1-3H3;1H
InChIKeyCXGSDQDDIYDHRK-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.48
Rot. Bonds3

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride (PubChem CID 120772686) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
PubChem CID120772686
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
SMILESCC(C)N1CCCC(N2CCC(C)(CN)C2)C1=O.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-11(2)17-7-4-5-12(13(17)18)16-8-6-14(3,9-15)10-16;/h11-12H,4-10,15H2,1-3H3;1H
InChIKeyCXGSDQDDIYDHRK-UHFFFAOYSA-N
XLogP1.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120775440
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 120772403
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120773416
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-fluoro-5-methylphenyl)piperidin-2-one;2,2,2-trifluoroacetic acid
CID 166180915
4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 84653847
(3R)-1-propan-2-yl-3-[(2R)-2,5,5-trimethylmorpholin-4-yl]piperidin-2-one
CID 124624876
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
CID 127941636
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
tert-butyl 1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperidine-4-carboxylate
CID 97220887

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride (CID 120772686) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride is CC(C)N1CCCC(N2CCC(C)(CN)C2)C1=O.Cl.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride?
The InChIKey is CXGSDQDDIYDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-11(2)17-7-4-5-12(13(17)18)16-8-6-14(3,9-15)10-16;/h11-12H,4-10,15H2,1-3H3;1H.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 120772686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).