[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid

C21H25FN4O3 — CID 146240981

IUPAC[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1
InChIInChI=1S/C21H25FN4O3/c22-16-7-5-14(6-8-16)15-11-18(19(12-15)29-20-4-1-9-23-25-20)26-10-2-3-17(13-26)24-21(27)28/h1,4-9,15,17-19,24H,2-3,10-13H2,(H,27,28)/t15?,17-,18?,19?/m1/s1
InChIKeyQMVJHVCKKJQXNA-AGRCYTFUSA-N
MW400.45 g/mol
LogP3.04
Rot. Bonds5

About [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid

[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid (PubChem CID 146240981) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
PubChem CID146240981
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1
InChIInChI=1S/C21H25FN4O3/c22-16-7-5-14(6-8-16)15-11-18(19(12-15)29-20-4-1-9-23-25-20)26-10-2-3-17(13-26)24-21(27)28/h1,4-9,15,17-19,24H,2-3,10-13H2,(H,27,28)/t15?,17-,18?,19?/m1/s1
InChIKeyQMVJHVCKKJQXNA-AGRCYTFUSA-N
XLogP3.04
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

US11274091, Example 22
CID 146240774
US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
US11274091, Example 24
CID 146240992
US11274091, Example 23
CID 148713224
[2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240913
[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240914
[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
[2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 146240979
[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 146240980

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid (CID 146240981) is [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1.
What is the InChIKey of [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid?
The InChIKey is QMVJHVCKKJQXNA-AGRCYTFUSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-16-7-5-14(6-8-16)15-11-18(19(12-15)29-20-4-1-9-23-25-20)26-10-2-3-17(13-26)24-21(27)28/h1,4-9,15,17-19,24H,2-3,10-13H2,(H,27,28)/t15?,17-,18?,19?/m1/s1.
What are the key properties of [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid?
[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid has a molecular weight of 400.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 146240981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).