3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride

C15H30ClN3O — CID 120775440

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
SMILESCC(C)N1CCCC(N2CCC(N)C(C)(C)C2)C1=O.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-11(2)18-8-5-6-12(14(18)19)17-9-7-13(16)15(3,4)10-17;/h11-13H,5-10,16H2,1-4H3;1H
InChIKeyKMQPQKMZLJCHSH-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.87
Rot. Bonds2

About 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride

3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride (PubChem CID 120775440) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
PubChem CID120775440
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
SMILESCC(C)N1CCCC(N2CCC(N)C(C)(C)C2)C1=O.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-11(2)18-8-5-6-12(14(18)19)17-9-7-13(16)15(3,4)10-17;/h11-13H,5-10,16H2,1-4H3;1H
InChIKeyKMQPQKMZLJCHSH-UHFFFAOYSA-N
XLogP1.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride (CID 120775440) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride is CC(C)N1CCCC(N2CCC(N)C(C)(C)C2)C1=O.Cl.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride?
The InChIKey is KMQPQKMZLJCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-11(2)18-8-5-6-12(14(18)19)17-9-7-13(16)15(3,4)10-17;/h11-13H,5-10,16H2,1-4H3;1H.
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 120775440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).