(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone

C18H27N3O2 — CID 138057340

IUPAC(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCC(COC2CCNC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-15-11-19-8-4-17(15)18(22)21-9-5-14(6-10-21)13-23-16-3-7-20-12-16/h4,8,11,14,16,20H,2-3,5-7,9-10,12-13H2,1H3
InChIKeyFHWVWRHRVFOOMU-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds5

About (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone

(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 138057340) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID138057340
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCC(COC2CCNC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-15-11-19-8-4-17(15)18(22)21-9-5-14(6-10-21)13-23-16-3-7-20-12-16/h4,8,11,14,16,20H,2-3,5-7,9-10,12-13H2,1H3
InChIKeyFHWVWRHRVFOOMU-UHFFFAOYSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone (CID 138057340) is (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone is CCc1cnccc1C(=O)N1CCC(COC2CCNC2)CC1.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is FHWVWRHRVFOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-15-11-19-8-4-17(15)18(22)21-9-5-14(6-10-21)13-23-16-3-7-20-12-16/h4,8,11,14,16,20H,2-3,5-7,9-10,12-13H2,1H3.
What are the key properties of (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone?
(3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[4-(pyrrolidin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).