1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C17H21N3O3 — CID 124589659

IUPAC1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESC[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H](C)N1
InChIInChI=1S/C17H21N3O3/c1-12-9-20(10-13(2)18-12)17(22)15-7-6-14(23-15)11-19-8-4-3-5-16(19)21/h3-8,12-13,18H,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyPJLBDXNLYOYYRC-STQMWFEESA-N
MW315.37 g/mol
LogP1.31
Rot. Bonds3

About 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 124589659) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID124589659
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESC[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H](C)N1
InChIInChI=1S/C17H21N3O3/c1-12-9-20(10-13(2)18-12)17(22)15-7-6-14(23-15)11-19-8-4-3-5-16(19)21/h3-8,12-13,18H,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyPJLBDXNLYOYYRC-STQMWFEESA-N
XLogP1.31
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one 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-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 96513043
1-[[5-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97026177
1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97256064
1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817
N-cyclopropyl-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
CID 134024734
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
CID 134024324
1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 119597097
1-[[5-[(4aR,8aS)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97082289
1-[[5-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 98793331
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 124589659) is 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H](C)N1.
What is the InChIKey of 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is PJLBDXNLYOYYRC-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-9-20(10-13(2)18-12)17(22)15-7-6-14(23-15)11-19-8-4-3-5-16(19)21/h3-8,12-13,18H,9-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 315.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 124589659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).