cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

C25H31FN4O2 — CID 142581373

IUPACcyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCC1(C)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN4O2/c1-25(2)7-9-28(10-8-25)22-19-15-18(26)5-6-21(19)27-16-20(22)24(32)30-13-11-29(12-14-30)23(31)17-3-4-17/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyRITSURJEXSJPBW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.69
Rot. Bonds3

About cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581373) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581373
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Namecyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCC1(C)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN4O2/c1-25(2)7-9-28(10-8-25)22-19-15-18(26)5-6-21(19)27-16-20(22)24(32)30-13-11-29(12-14-30)23(31)17-3-4-17/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyRITSURJEXSJPBW-UHFFFAOYSA-N
XLogP3.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581373) is cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is CC1(C)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RITSURJEXSJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-25(2)7-9-28(10-8-25)22-19-15-18(26)5-6-21(19)27-16-20(22)24(32)30-13-11-29(12-14-30)23(31)17-3-4-17/h5-6,15-17H,3-4,7-14H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 438.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).