(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone

C18H27N3O — CID 3148926

IUPAC(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-15-5-4-10-21(13-15)18(22)16-7-11-20(12-8-16)14-17-6-2-3-9-19-17/h2-3,6,9,15-16H,4-5,7-8,10-14H2,1H3
InChIKeyYPLUVTAYUWMFND-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.55
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 3148926) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID3148926
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-15-5-4-10-21(13-15)18(22)16-7-11-20(12-8-16)14-17-6-2-3-9-19-17/h2-3,6,9,15-16H,4-5,7-8,10-14H2,1H3
InChIKeyYPLUVTAYUWMFND-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone (CID 3148926) is (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is YPLUVTAYUWMFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-5-4-10-21(13-15)18(22)16-7-11-20(12-8-16)14-17-6-2-3-9-19-17/h2-3,6,9,15-16H,4-5,7-8,10-14H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 3148926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).