N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C18H25FN2O2 — CID 108962425

IUPACN-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-13-7-6-10-21(12-13)17(23)18(2,3)16(22)20-11-14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,22)
InChIKeyGRXKXPYTGPIKBR-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.73
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108962425) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108962425
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-13-7-6-10-21(12-13)17(23)18(2,3)16(22)20-11-14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,22)
InChIKeyGRXKXPYTGPIKBR-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108962428
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
N-[(2-fluorophenyl)methyl]-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975681
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108962413
3-(azepan-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961716
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108965042
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108962425) is N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCCN(C(=O)C(C)(C)C(=O)NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is GRXKXPYTGPIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-7-6-10-21(12-13)17(23)18(2,3)16(22)20-11-14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108962425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).