N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C15H19FN2O2 — CID 108523035

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)14(19)17-9-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyXHELNTHZARZBAH-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.70
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523035) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523035
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)14(19)17-9-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyXHELNTHZARZBAH-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
CID 108529654
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530680
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523035) is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is XHELNTHZARZBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11-3-2-8-18(10-11)15(20)14(19)17-9-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 278.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).