1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone

C18H27N3O — CID 91921290

IUPAC1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(Cc3ccc(C)cn3)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-3-4-18(19-11-14)13-20-8-5-17(12-20)16-6-9-21(10-7-16)15(2)22/h3-4,11,16-17H,5-10,12-13H2,1-2H3
InChIKeyGCEMMSOZIXLORZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.47
Rot. Bonds3

About 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone

1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 91921290) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID91921290
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(Cc3ccc(C)cn3)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-3-4-18(19-11-14)13-20-8-5-17(12-20)16-6-9-21(10-7-16)15(2)22/h3-4,11,16-17H,5-10,12-13H2,1-2H3
InChIKeyGCEMMSOZIXLORZ-UHFFFAOYSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 91921290) is 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CCN(Cc3ccc(C)cn3)C2)CC1.
What is the InChIKey of 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is GCEMMSOZIXLORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-3-4-18(19-11-14)13-20-8-5-17(12-20)16-6-9-21(10-7-16)15(2)22/h3-4,11,16-17H,5-10,12-13H2,1-2H3.
What are the key properties of 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91921290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).