2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide

C18H25F2N3O2 — CID 166932099

IUPAC2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H25F2N3O2/c1-18(2,13-3-4-14(19)15(20)9-13)10-22-17(25)16(21)12-5-7-23(11-24)8-6-12/h3-4,9,11-12,16H,5-8,10,21H2,1-2H3,(H,22,25)
InChIKeyPUOFLWBCZQMHST-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide

2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide (PubChem CID 166932099) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
PubChem CID166932099
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H25F2N3O2/c1-18(2,13-3-4-14(19)15(20)9-13)10-22-17(25)16(21)12-5-7-23(11-24)8-6-12/h3-4,9,11-12,16H,5-8,10,21H2,1-2H3,(H,22,25)
InChIKeyPUOFLWBCZQMHST-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932387
2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
CID 166932275
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
CID 166932266
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197053
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide (CID 166932099) is 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide is CC(C)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide?
The InChIKey is PUOFLWBCZQMHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-18(2,13-3-4-14(19)15(20)9-13)10-22-17(25)16(21)12-5-7-23(11-24)8-6-12/h3-4,9,11-12,16H,5-8,10,21H2,1-2H3,(H,22,25).
What are the key properties of 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide?
2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166932099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).