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

C27H35FN4O2 — CID 142581409

IUPACcyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCCC1(CC)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H35FN4O2/c1-3-27(4-2)9-11-30(12-10-27)24-21-17-20(28)7-8-23(21)29-18-22(24)26(34)32-15-13-31(14-16-32)25(33)19-5-6-19/h7-8,17-19H,3-6,9-16H2,1-2H3
InChIKeySKZDPIOMNAVCBV-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.47
Rot. Bonds5

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

cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581409) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581409
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Namecyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCCC1(CC)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H35FN4O2/c1-3-27(4-2)9-11-30(12-10-27)24-21-17-20(28)7-8-23(21)29-18-22(24)26(34)32-15-13-31(14-16-32)25(33)19-5-6-19/h7-8,17-19H,3-6,9-16H2,1-2H3
InChIKeySKZDPIOMNAVCBV-UHFFFAOYSA-N
XLogP4.47
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.47
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-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581409) is cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is CCC1(CC)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is SKZDPIOMNAVCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-3-27(4-2)9-11-30(12-10-27)24-21-17-20(28)7-8-23(21)29-18-22(24)26(34)32-15-13-31(14-16-32)25(33)19-5-6-19/h7-8,17-19H,3-6,9-16H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 466.60 g/mol, XLogP of 4.47, 5 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-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).