[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone

C17H15Cl3N2O2 — CID 71798834

IUPAC[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C17H15Cl3N2O2/c18-11-3-4-14(19)13(10-11)17(23)22-8-5-12(6-9-22)24-16-15(20)2-1-7-21-16/h1-4,7,10,12H,5-6,8-9H2
InChIKeyVTGGSYQEMZOXMZ-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.73
Rot. Bonds3

About [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone

[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 71798834) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID71798834
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C17H15Cl3N2O2/c18-11-3-4-14(19)13(10-11)17(23)22-8-5-12(6-9-22)24-16-15(20)2-1-7-21-16/h1-4,7,10,12H,5-6,8-9H2
InChIKeyVTGGSYQEMZOXMZ-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71798825
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153292
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
(2,5-dichlorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82250052
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone (CID 71798834) is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is VTGGSYQEMZOXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c18-11-3-4-14(19)13(10-11)17(23)22-8-5-12(6-9-22)24-16-15(20)2-1-7-21-16/h1-4,7,10,12H,5-6,8-9H2.
What are the key properties of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 385.68 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 71798834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).