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

C17H25FN4O2 — CID 130455643

IUPAC1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESCc1cnc(C2CC[C@H](C)N2C(=O)C(=O)N2CCC(C)(F)CC2)[nH]1
InChIInChI=1S/C17H25FN4O2/c1-11-10-19-14(20-11)13-5-4-12(2)22(13)16(24)15(23)21-8-6-17(3,18)7-9-21/h10,12-13H,4-9H2,1-3H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyCVHSUPDPIKNOFR-UEWDXFNNSA-N
MW336.41 g/mol
LogP2.12
Rot. Bonds1

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

1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione (PubChem CID 130455643) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
PubChem CID130455643
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
SMILESCc1cnc(C2CC[C@H](C)N2C(=O)C(=O)N2CCC(C)(F)CC2)[nH]1
InChIInChI=1S/C17H25FN4O2/c1-11-10-19-14(20-11)13-5-4-12(2)22(13)16(24)15(23)21-8-6-17(3,18)7-9-21/h10,12-13H,4-9H2,1-3H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyCVHSUPDPIKNOFR-UEWDXFNNSA-N
XLogP2.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-Ethyl-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
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(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]pyrrolidin-3-amine
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N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1-propionyl-L-prolinamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione (CID 130455643) is 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione is Cc1cnc(C2CC[C@H](C)N2C(=O)C(=O)N2CCC(C)(F)CC2)[nH]1.
What is the InChIKey of 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
The InChIKey is CVHSUPDPIKNOFR-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-11-10-19-14(20-11)13-5-4-12(2)22(13)16(24)15(23)21-8-6-17(3,18)7-9-21/h10,12-13H,4-9H2,1-3H3,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione?
1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione has a molecular weight of 336.41 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 130455643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).