[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone

C20H23ClN2O2 — CID 166338794

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)15-3-8-19(22-13-15)20(24)23-11-9-18(10-12-23)25-17-6-4-16(21)5-7-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyAYZLIQHIGFYGPE-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.54
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone (PubChem CID 166338794) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
PubChem CID166338794
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)15-3-8-19(22-13-15)20(24)23-11-9-18(10-12-23)25-17-6-4-16(21)5-7-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyAYZLIQHIGFYGPE-UHFFFAOYSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
CID 166338912
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanone
CID 166294062
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
CID 166281491
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone
CID 166338931

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone (CID 166338794) is [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone is CC(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone?
The InChIKey is AYZLIQHIGFYGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)15-3-8-19(22-13-15)20(24)23-11-9-18(10-12-23)25-17-6-4-16(21)5-7-17/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone has a molecular weight of 358.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 166338794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).