1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

C16H22FN3O2 — CID 8530730

IUPAC1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22FN3O2/c1-19(10-12-3-2-4-14(17)9-12)15(21)11-20-7-5-13(6-8-20)16(18)22/h2-4,9,13H,5-8,10-11H2,1H3,(H2,18,22)
InChIKeyRFHMZRWPCLXDGI-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8530730) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8530730
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22FN3O2/c1-19(10-12-3-2-4-14(17)9-12)15(21)11-20-7-5-13(6-8-20)16(18)22/h2-4,9,13H,5-8,10-11H2,1H3,(H2,18,22)
InChIKeyRFHMZRWPCLXDGI-UHFFFAOYSA-N
XLogP0.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide 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

1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
N-[(3-fluorophenyl)methyl]-2-[(3S)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 95602098
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363
1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796659
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 8530730) is 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is CN(Cc1cccc(F)c1)C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RFHMZRWPCLXDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(10-12-3-2-4-14(17)9-12)15(21)11-20-7-5-13(6-8-20)16(18)22/h2-4,9,13H,5-8,10-11H2,1H3,(H2,18,22).
What are the key properties of 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).