[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone

C18H19ClN2O3 — CID 122158541

IUPAC[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-4-2-3-13(9-16)18(22)21-7-5-15(6-8-21)24-17-10-14(19)11-20-12-17/h2-4,9-12,15H,5-8H2,1H3
InChIKeyYQUWIUSXDXNQJY-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.43
Rot. Bonds4

About [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 122158541) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID122158541
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-4-2-3-13(9-16)18(22)21-7-5-15(6-8-21)24-17-10-14(19)11-20-12-17/h2-4,9-12,15H,5-8H2,1H3
InChIKeyYQUWIUSXDXNQJY-UHFFFAOYSA-N
XLogP3.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 122158541) is [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1.
What is the InChIKey of [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is YQUWIUSXDXNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-16-4-2-3-13(9-16)18(22)21-7-5-15(6-8-21)24-17-10-14(19)11-20-12-17/h2-4,9-12,15H,5-8H2,1H3.
What are the key properties of [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 346.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 122158541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).