4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

C24H29FN6O2 — CID 142581268

IUPAC4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C)(C#N)CC2)CC1
InChIInChI=1S/C24H29FN6O2/c1-24(16-26)6-8-29(9-7-24)21-18-14-17(25)4-5-20(18)27-15-19(21)22(32)30-10-12-31(13-11-30)23(33)28(2)3/h4-5,14-15H,6-13H2,1-3H3
InChIKeyZLKYLYYFMYEWEU-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.94
Rot. Bonds2

About 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 142581268) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID142581268
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C)(C#N)CC2)CC1
InChIInChI=1S/C24H29FN6O2/c1-24(16-26)6-8-29(9-7-24)21-18-14-17(25)4-5-20(18)27-15-19(21)22(32)30-10-12-31(13-11-30)23(33)28(2)3/h4-5,14-15H,6-13H2,1-3H3
InChIKeyZLKYLYYFMYEWEU-UHFFFAOYSA-N
XLogP2.94
TPSA83.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (CID 142581268) is 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C)(C#N)CC2)CC1.
What is the InChIKey of 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is ZLKYLYYFMYEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-24(16-26)6-8-29(9-7-24)21-18-14-17(25)4-5-20(18)27-15-19(21)22(32)30-10-12-31(13-11-30)23(33)28(2)3/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 142581268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).