[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone

C17H16Cl2N2O2 — CID 166335688

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-5-13(6-4-12)23-14-7-10-21(11-8-14)17(22)16-15(19)2-1-9-20-16/h1-6,9,14H,7-8,10-11H2
InChIKeyKPYQGELSURWTBP-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.07
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone (PubChem CID 166335688) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
PubChem CID166335688
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-5-13(6-4-12)23-14-7-10-21(11-8-14)17(22)16-15(19)2-1-9-20-16/h1-6,9,14H,7-8,10-11H2
InChIKeyKPYQGELSURWTBP-UHFFFAOYSA-N
XLogP4.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166335710
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 163931755
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone (CID 166335688) is [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone is O=C(c1ncccc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone?
The InChIKey is KPYQGELSURWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-3-5-13(6-4-12)23-14-7-10-21(11-8-14)17(22)16-15(19)2-1-9-20-16/h1-6,9,14H,7-8,10-11H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone has a molecular weight of 351.23 g/mol, XLogP of 4.07, 3 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]-(3-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 166335688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).