2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride

C16H24ClN3O2 — CID 119309661

IUPAC2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(CN2CCCCC2=O)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,17)15(21)18-13-7-5-6-12(10-13)11-19-9-4-3-8-14(19)20;/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21);1H
InChIKeyGXHYZUOOBZCBQI-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride

2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride (PubChem CID 119309661) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
PubChem CID119309661
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(CN2CCCCC2=O)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,17)15(21)18-13-7-5-6-12(10-13)11-19-9-4-3-8-14(19)20;/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21);1H
InChIKeyGXHYZUOOBZCBQI-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride (CID 119309661) is 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride is CC(C)(N)C(=O)Nc1cccc(CN2CCCCC2=O)c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The InChIKey is GXHYZUOOBZCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-16(2,17)15(21)18-13-7-5-6-12(10-13)11-19-9-4-3-8-14(19)20;/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21);1H.
What are the key properties of 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119309661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).