piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate

C21H24ClFN4O3 — CID 146240927

IUPACpiperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
SMILESO=C(NC1CC(c2ccc(F)cc2)CC1Oc1cc(Cl)cnn1)OC1CCCNC1
InChIInChI=1S/C21H24ClFN4O3/c22-15-10-20(27-25-11-15)30-19-9-14(13-3-5-16(23)6-4-13)8-18(19)26-21(28)29-17-2-1-7-24-12-17/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,26,28)
InChIKeyFAOAYIRBFLPJRE-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.44
Rot. Bonds5

About piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate

piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate (PubChem CID 146240927) has the molecular formula C21H24ClFN4O3 and a molecular weight of 434.90 g/mol. Its IUPAC name is piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namepiperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
PubChem CID146240927
Molecular FormulaC21H24ClFN4O3
Molecular Weight434.90 g/mol
Exact Mass434.15
IUPAC Namepiperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
SMILESO=C(NC1CC(c2ccc(F)cc2)CC1Oc1cc(Cl)cnn1)OC1CCCNC1
InChIInChI=1S/C21H24ClFN4O3/c22-15-10-20(27-25-11-15)30-19-9-14(13-3-5-16(23)6-4-13)8-18(19)26-21(28)29-17-2-1-7-24-12-17/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,26,28)
InChIKeyFAOAYIRBFLPJRE-UHFFFAOYSA-N
XLogP3.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
[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
[(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
[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
CID 146240993
[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

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate?
The IUPAC name of piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate (CID 146240927) is piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate.
What is the SMILES notation for piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate?
The canonical SMILES for piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate is O=C(NC1CC(c2ccc(F)cc2)CC1Oc1cc(Cl)cnn1)OC1CCCNC1.
What is the InChIKey of piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate?
The InChIKey is FAOAYIRBFLPJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O3/c22-15-10-20(27-25-11-15)30-19-9-14(13-3-5-16(23)6-4-13)8-18(19)26-21(28)29-17-2-1-7-24-12-17/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,26,28).
What are the key properties of piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate?
piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate has a molecular weight of 434.90 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate is sourced from PubChem (CID 146240927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).