tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate

C25H32F2N4O3 — CID 150513437

IUPACtert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cc(F)cnn2)C1
InChIInChI=1S/C25H32F2N4O3/c1-25(2,3)34-24(32)29-20-5-4-10-31(15-20)21-11-17(16-6-8-18(26)9-7-16)12-22(21)33-23-13-19(27)14-28-30-23/h6-9,13-14,17,20-22H,4-5,10-12,15H2,1-3H3,(H,29,32)/t17?,20-,21?,22?/m1/s1
InChIKeyIAIHTSIKZKTVLB-BEEUSASCSA-N
MW474.55 g/mol
LogP4.44
Rot. Bonds5

About tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate (PubChem CID 150513437) has the molecular formula C25H32F2N4O3 and a molecular weight of 474.55 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
PubChem CID150513437
Molecular FormulaC25H32F2N4O3
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC Nametert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cc(F)cnn2)C1
InChIInChI=1S/C25H32F2N4O3/c1-25(2,3)34-24(32)29-20-5-4-10-31(15-20)21-11-17(16-6-8-18(26)9-7-16)12-22(21)33-23-13-19(27)14-28-30-23/h6-9,13-14,17,20-22H,4-5,10-12,15H2,1-3H3,(H,29,32)/t17?,20-,21?,22?/m1/s1
InChIKeyIAIHTSIKZKTVLB-BEEUSASCSA-N
XLogP4.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate (CID 150513437) is tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cc(F)cnn2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate?
The InChIKey is IAIHTSIKZKTVLB-BEEUSASCSA-N. The full InChI is InChI=1S/C25H32F2N4O3/c1-25(2,3)34-24(32)29-20-5-4-10-31(15-20)21-11-17(16-6-8-18(26)9-7-16)12-22(21)33-23-13-19(27)14-28-30-23/h6-9,13-14,17,20-22H,4-5,10-12,15H2,1-3H3,(H,29,32)/t17?,20-,21?,22?/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate has a molecular weight of 474.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 150513437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).