[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone

C17H24ClN3O2 — CID 133381373

IUPAC[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-2-14-5-3-4-6-21(14)16-15(18)11-13(12-19-16)17(22)20-7-9-23-10-8-20/h11-12,14H,2-10H2,1H3
InChIKeyPNEPXQWQLRPCJH-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.98
Rot. Bonds3

About [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133381373) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133381373
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-2-14-5-3-4-6-21(14)16-15(18)11-13(12-19-16)17(22)20-7-9-23-10-8-20/h11-12,14H,2-10H2,1H3
InChIKeyPNEPXQWQLRPCJH-UHFFFAOYSA-N
XLogP2.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331240
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone (CID 133381373) is [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone is CCC1CCCCN1c1ncc(C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PNEPXQWQLRPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-14-5-3-4-6-21(14)16-15(18)11-13(12-19-16)17(22)20-7-9-23-10-8-20/h11-12,14H,2-10H2,1H3.
What are the key properties of [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 337.85 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133381373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).