[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate

C21H24ClFN4O3 — CID 146240993

IUPAC[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1
InChIInChI=1S/C21H24ClFN4O3/c22-17-7-8-25-26-20(17)30-19-11-14(13-3-5-15(23)6-4-13)10-18(19)27-9-1-2-16(12-27)29-21(24)28/h3-8,14,16,18-19H,1-2,9-12H2,(H2,24,28)/t14?,16-,18?,19?/m1/s1
InChIKeyNUQDJUQFUXFEEB-UOBIKFCOSA-N
MW434.90 g/mol
LogP3.52
Rot. Bonds5

About [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate

[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate (PubChem CID 146240993) has the molecular formula C21H24ClFN4O3 and a molecular weight of 434.90 g/mol. Its IUPAC name is [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
PubChem CID146240993
Molecular FormulaC21H24ClFN4O3
Molecular Weight434.90 g/mol
Exact Mass434.15
IUPAC Name[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1
InChIInChI=1S/C21H24ClFN4O3/c22-17-7-8-25-26-20(17)30-19-11-14(13-3-5-15(23)6-4-13)10-18(19)27-9-1-2-16(12-27)29-21(24)28/h3-8,14,16,18-19H,1-2,9-12H2,(H2,24,28)/t14?,16-,18?,19?/m1/s1
InChIKeyNUQDJUQFUXFEEB-UOBIKFCOSA-N
XLogP3.52
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate with MolForge

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Related Compounds

US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
US11274091, Example 23
CID 148713224
[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240915
[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240917
piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
CID 146240927
[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
CID 146240981
[1-[4-(4-Fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
CID 146240984
[1-[2-(4-Chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
CID 146240994
[1-[2-(6-Chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
CID 146243577
tert-butyl N-[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl]carbamate
CID 149648714
tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
CID 150513437

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate?
The IUPAC name of [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate (CID 146240993) is [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate?
The canonical SMILES for [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate is NC(=O)O[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1.
What is the InChIKey of [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate?
The InChIKey is NUQDJUQFUXFEEB-UOBIKFCOSA-N. The full InChI is InChI=1S/C21H24ClFN4O3/c22-17-7-8-25-26-20(17)30-19-11-14(13-3-5-15(23)6-4-13)10-18(19)27-9-1-2-16(12-27)29-21(24)28/h3-8,14,16,18-19H,1-2,9-12H2,(H2,24,28)/t14?,16-,18?,19?/m1/s1.
What are the key properties of [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate?
[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate has a molecular weight of 434.90 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 146240993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).