[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C18H26ClN3O2 — CID 133271248

IUPAC[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOC1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2/c1-2-24-15-6-10-21(11-7-15)17-16(19)12-14(13-20-17)18(23)22-8-4-3-5-9-22/h12-13,15H,2-11H2,1H3
InChIKeyGZVRBOXYNLMAAT-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.37
Rot. Bonds4

About [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133271248) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133271248
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOC1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2/c1-2-24-15-6-10-21(11-7-15)17-16(19)12-14(13-20-17)18(23)22-8-4-3-5-9-22/h12-13,15H,2-11H2,1H3
InChIKeyGZVRBOXYNLMAAT-UHFFFAOYSA-N
XLogP3.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294918
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10319071
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133322869
tert-butyl N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 133293163
[5-chloro-6-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10252084
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
ethyl 1-[5-chloro-6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 91952931
[5-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133335857

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133271248) is [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is CCOC1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1.
What is the InChIKey of [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GZVRBOXYNLMAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-2-24-15-6-10-21(11-7-15)17-16(19)12-14(13-20-17)18(23)22-8-4-3-5-9-22/h12-13,15H,2-11H2,1H3.
What are the key properties of [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 351.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133271248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).