1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione

C16H22F2N4O2 — CID 130457601

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESCc1cnc([C@@H]2CC[C@H](C)N2C(=O)C(=O)N2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C16H22F2N4O2/c1-10-9-19-13(20-10)12-4-3-11(2)22(12)15(24)14(23)21-7-5-16(17,18)6-8-21/h9,11-12H,3-8H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyFWBBMUNKJOUBRF-RYUDHWBXSA-N
MW340.37 g/mol
LogP2.03
Rot. Bonds1

About 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione

1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione (PubChem CID 130457601) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
PubChem CID130457601
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESCc1cnc([C@@H]2CC[C@H](C)N2C(=O)C(=O)N2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C16H22F2N4O2/c1-10-9-19-13(20-10)12-4-3-11(2)22(12)15(24)14(23)21-7-5-16(17,18)6-8-21/h9,11-12H,3-8H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyFWBBMUNKJOUBRF-RYUDHWBXSA-N
XLogP2.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione 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

CID 122184249
CID 122184249
N-Cyclopentyl-2-{methyl[(4-methyl-1H-imidazol-2-YL)methyl]amino}butanamide
CID 91839814
(3S)-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]azepan-3-amine
CID 70750223
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]pyrrolidin-3-amine
CID 72931422
N-(5-methyl-1H-imidazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 75385700
N-[(1-ethylpiperidin-4-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 77086075
N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1-propionyl-L-prolinamide
CID 90649581
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
2-(1,4-Dimethylpiperazin-2-YL)-N-methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]acetamide
CID 91829226
N-Methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-4-(2-oxopyrrolidin-1-YL)butanamide
CID 91831350
1-cyclopentyl-4-[(4-methyl-1H-imidazol-2-yl)carbonyl]-1,4-diazepane
CID 91833909

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione (CID 130457601) is 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione is Cc1cnc([C@@H]2CC[C@H](C)N2C(=O)C(=O)N2CCC(F)(F)CC2)[nH]1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The InChIKey is FWBBMUNKJOUBRF-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-10-9-19-13(20-10)12-4-3-11(2)22(12)15(24)14(23)21-7-5-16(17,18)6-8-21/h9,11-12H,3-8H2,1-2H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione has a molecular weight of 340.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 130457601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).