tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate

C23H27FN2O4 — CID 139513228

IUPACtert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C23H27FN2O4/c1-21(2,3)30-20(28)22(7-8-22)23(29)9-12-26(13-10-23)19(27)16-6-11-25-18-5-4-15(24)14-17(16)18/h4-6,11,14,29H,7-10,12-13H2,1-3H3
InChIKeyGFYBTZNXDJJANM-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate

tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate (PubChem CID 139513228) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate
PubChem CID139513228
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Nametert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C23H27FN2O4/c1-21(2,3)30-20(28)22(7-8-22)23(29)9-12-26(13-10-23)19(27)16-6-11-25-18-5-4-15(24)14-17(16)18/h4-6,11,14,29H,7-10,12-13H2,1-3H3
InChIKeyGFYBTZNXDJJANM-UHFFFAOYSA-N
XLogP3.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate 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

tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
CID 139512745
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
CID 139509915
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxylate
CID 172782137
tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 153288878
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
tert-butyl 4-(2,5-difluorobenzoyl)-4-hydroxypiperidine-1-carboxylate
CID 139511949
1-O-tert-butyl 4-O-methyl 4-(7-fluoroquinazolin-4-yl)piperidine-1,4-dicarboxylate
CID 59551761
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate (CID 139513228) is tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)c3ccnc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate?
The InChIKey is GFYBTZNXDJJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-21(2,3)30-20(28)22(7-8-22)23(29)9-12-26(13-10-23)19(27)16-6-11-25-18-5-4-15(24)14-17(16)18/h4-6,11,14,29H,7-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate?
tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139513228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).