2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride

C16H22ClF2N3O4 — CID 120990960

IUPAC2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl
InChIInChI=1S/C16H21F2N3O4.ClH/c1-24-9-12(19)14(22)20-13-3-2-8-21(15(13)23)10-4-6-11(7-5-10)25-16(17)18;/h4-7,12-13,16H,2-3,8-9,19H2,1H3,(H,20,22);1H
InChIKeyFXFOGJKEKCANDI-UHFFFAOYSA-N
MW393.82 g/mol
LogP1.30
Rot. Bonds7

About 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 120990960) has the molecular formula C16H22ClF2N3O4 and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
PubChem CID120990960
Molecular FormulaC16H22ClF2N3O4
Molecular Weight393.82 g/mol
Exact Mass393.13
IUPAC Name2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl
InChIInChI=1S/C16H21F2N3O4.ClH/c1-24-9-12(19)14(22)20-13-3-2-8-21(15(13)23)10-4-6-11(7-5-10)25-16(17)18;/h4-7,12-13,16H,2-3,8-9,19H2,1H3,(H,20,22);1H
InChIKeyFXFOGJKEKCANDI-UHFFFAOYSA-N
XLogP1.30
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride (CID 120990960) is 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is FXFOGJKEKCANDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O4.ClH/c1-24-9-12(19)14(22)20-13-3-2-8-21(15(13)23)10-4-6-11(7-5-10)25-16(17)18;/h4-7,12-13,16H,2-3,8-9,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 393.82 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).