N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide

C16H21F2N3O2 — CID 6900597

IUPACN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C16H21F2N3O2/c17-16(18)23-14-7-3-2-6-13(14)12-19-20-15(22)8-11-21-9-4-1-5-10-21/h2-3,6-7,12,16H,1,4-5,8-11H2,(H,20,22)/b19-12+
InChIKeyFOXJSHRRQGCAGY-XDHOZWIPSA-N
MW325.36 g/mol
LogP2.61
Rot. Bonds7

About N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide

N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide (PubChem CID 6900597) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide
PubChem CID6900597
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C16H21F2N3O2/c17-16(18)23-14-7-3-2-6-13(14)12-19-20-15(22)8-11-21-9-4-1-5-10-21/h2-3,6-7,12,16H,1,4-5,8-11H2,(H,20,22)/b19-12+
InChIKeyFOXJSHRRQGCAGY-XDHOZWIPSA-N
XLogP2.61
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[2-(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 9626899
N-cyclohexyl-N'-[(E)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 9563180
2-(1-piperidinyl)-N'-(4-propoxybenzylidene)acetohydrazide
CID 6871736
N'-{(1E)-[3-(allyloxy)phenyl]methylene}-2-piperidin-1-ylacetohydrazide
CID 9633709
N'-[2-(benzyloxy)benzylidene]-2-(1-piperidinyl)acetohydrazide
CID 9564937
N-benzyl-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide
CID 9591579
3-[2-(2-methoxybenzylidene)hydrazino]-3-oxo-N-(2-phenylethyl)propanamide
CID 9661644
N-cyclohexyl-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide
CID 9563179
N'-(2-Methoxybenzylidene)decanohydrazide
CID 9659984
1-[2-(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 3587681
2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6905317
(E)-1-[2-(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
CID 16249165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide (CID 6900597) is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)N/N=C/c1ccccc1OC(F)F.
What is the InChIKey of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide?
The InChIKey is FOXJSHRRQGCAGY-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c17-16(18)23-14-7-3-2-6-13(14)12-19-20-15(22)8-11-21-9-4-1-5-10-21/h2-3,6-7,12,16H,1,4-5,8-11H2,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide?
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide has a molecular weight of 325.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 6900597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).