[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone

C17H18ClN3O3 — CID 166334274

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1COC2)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-11-1-3-12(4-2-11)24-13-5-7-21(8-6-13)17(22)16-14-9-23-10-15(14)19-20-16/h1-4,13H,5-10H2,(H,19,20)
InChIKeyBRUAEAZDFLAZOR-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.78
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone (PubChem CID 166334274) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
PubChem CID166334274
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1COC2)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3/c18-11-1-3-12(4-2-11)24-13-5-7-21(8-6-13)17(22)16-14-9-23-10-15(14)19-20-16/h1-4,13H,5-10H2,(H,19,20)
InChIKeyBRUAEAZDFLAZOR-UHFFFAOYSA-N
XLogP2.78
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone with MolForge

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 166316342
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 70744636
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
CID 166335700

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone (CID 166334274) is [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1COC2)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone?
The InChIKey is BRUAEAZDFLAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-11-1-3-12(4-2-11)24-13-5-7-21(8-6-13)17(22)16-14-9-23-10-15(14)19-20-16/h1-4,13H,5-10H2,(H,19,20).
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone has a molecular weight of 347.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone is sourced from PubChem (CID 166334274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).