[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C17H25N3O — CID 109203690

IUPAC[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O/c1-2-14-7-3-4-12-20(14)15-8-9-18-16(13-15)17(21)19-10-5-6-11-19/h8-9,13-14H,2-7,10-12H2,1H3
InChIKeyHEUNFXMBIDLOPD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.09
Rot. Bonds3

About [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203690) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203690
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O/c1-2-14-7-3-4-12-20(14)15-8-9-18-16(13-15)17(21)19-10-5-6-11-19/h8-9,13-14H,2-7,10-12H2,1H3
InChIKeyHEUNFXMBIDLOPD-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2-ethylpiperidin-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109216173
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928
N-(4-ethoxyphenyl)-4-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218049
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
2-chloro-4-(2-ethylpyrrolidin-1-yl)pyridine
CID 102824042
4-[2-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63855111
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
4-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218076
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203690) is [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCC1CCCCN1c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HEUNFXMBIDLOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-14-7-3-4-12-20(14)15-8-9-18-16(13-15)17(21)19-10-5-6-11-19/h8-9,13-14H,2-7,10-12H2,1H3.
What are the key properties of [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).