[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone

C20H18ClN3O2 — CID 67168153

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
SMILESO=C(c1cnnc2ccccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-14-5-7-15(8-6-14)26-16-9-11-24(12-10-16)20(25)18-13-22-23-19-4-2-1-3-17(18)19/h1-8,13,16H,9-12H2
InChIKeyWRINUKKRHBENNA-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone

[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone (PubChem CID 67168153) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
PubChem CID67168153
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
SMILESO=C(c1cnnc2ccccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-14-5-7-15(8-6-14)26-16-9-11-24(12-10-16)20(25)18-13-22-23-19-4-2-1-3-17(18)19/h1-8,13,16H,9-12H2
InChIKeyWRINUKKRHBENNA-UHFFFAOYSA-N
XLogP3.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
CID 67169214
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanone
CID 67168317
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone (CID 67168153) is [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone is O=C(c1cnnc2ccccc12)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone?
The InChIKey is WRINUKKRHBENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-5-7-15(8-6-14)26-16-9-11-24(12-10-16)20(25)18-13-22-23-19-4-2-1-3-17(18)19/h1-8,13,16H,9-12H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone has a molecular weight of 367.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone is sourced from PubChem (CID 67168153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).