(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone

C18H27N3O — CID 84573681

IUPAC(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N3CCCCC3)n2)C1
InChIInChI=1S/C18H27N3O/c1-14-11-15(2)13-21(12-14)18(22)16-7-6-8-17(19-16)20-9-4-3-5-10-20/h6-8,14-15H,3-5,9-13H2,1-2H3
InChIKeyWEHNYJCSUMUQIJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.19
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone

(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone (PubChem CID 84573681) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
PubChem CID84573681
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N3CCCCC3)n2)C1
InChIInChI=1S/C18H27N3O/c1-14-11-15(2)13-21(12-14)18(22)16-7-6-8-17(19-16)20-9-4-3-5-10-20/h6-8,14-15H,3-5,9-13H2,1-2H3
InChIKeyWEHNYJCSUMUQIJ-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573692
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone (CID 84573681) is (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone is CC1CC(C)CN(C(=O)c2cccc(N3CCCCC3)n2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The InChIKey is WEHNYJCSUMUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-11-15(2)13-21(12-14)18(22)16-7-6-8-17(19-16)20-9-4-3-5-10-20/h6-8,14-15H,3-5,9-13H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone has a molecular weight of 301.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 84573681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).