3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide

C18H24F2N4O2 — CID 123419977

IUPAC3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide
SMILES[H]/N=C(\c1ccc(C(=O)N2CCC(F)(F)CC2)cc1)C(C)(NC)C(=O)NC
InChIInChI=1S/C18H24F2N4O2/c1-17(23-3,16(26)22-2)14(21)12-4-6-13(7-5-12)15(25)24-10-8-18(19,20)9-11-24/h4-7,21,23H,8-11H2,1-3H3,(H,22,26)/b21-14+
InChIKeyIVKYLFAZEJVLHK-KGENOOAVSA-N
MW366.41 g/mol
LogP1.65
Rot. Bonds5

About 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide

3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide (PubChem CID 123419977) has the molecular formula C18H24F2N4O2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide
PubChem CID123419977
Molecular FormulaC18H24F2N4O2
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Name3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide
SMILES[H]/N=C(\c1ccc(C(=O)N2CCC(F)(F)CC2)cc1)C(C)(NC)C(=O)NC
InChIInChI=1S/C18H24F2N4O2/c1-17(23-3,16(26)22-2)14(21)12-4-6-13(7-5-12)15(25)24-10-8-18(19,20)9-11-24/h4-7,21,23H,8-11H2,1-3H3,(H,22,26)/b21-14+
InChIKeyIVKYLFAZEJVLHK-KGENOOAVSA-N
XLogP1.65
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide?
The IUPAC name of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide (CID 123419977) is 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide?
The canonical SMILES for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide is [H]/N=C(\c1ccc(C(=O)N2CCC(F)(F)CC2)cc1)C(C)(NC)C(=O)NC.
What is the InChIKey of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide?
The InChIKey is IVKYLFAZEJVLHK-KGENOOAVSA-N. The full InChI is InChI=1S/C18H24F2N4O2/c1-17(23-3,16(26)22-2)14(21)12-4-6-13(7-5-12)15(25)24-10-8-18(19,20)9-11-24/h4-7,21,23H,8-11H2,1-3H3,(H,22,26)/b21-14+.
What are the key properties of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide?
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide has a molecular weight of 366.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-imino-N,2-dimethyl-2-(methylamino)propanamide is sourced from PubChem (CID 123419977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).