[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C18H27N3O — CID 109205143

IUPAC[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1
InChIInChI=1S/C18H27N3O/c1-15-7-12-21(13-8-15)18(22)17-14-16(6-9-19-17)20-10-4-2-3-5-11-20/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyULCYAVYHRJWRCW-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.33
Rot. Bonds2

About [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205143) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205143
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1
InChIInChI=1S/C18H27N3O/c1-15-7-12-21(13-8-15)18(22)17-14-16(6-9-19-17)20-10-4-2-3-5-11-20/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyULCYAVYHRJWRCW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205143) is [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1.
What is the InChIKey of [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ULCYAVYHRJWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-7-12-21(13-8-15)18(22)17-14-16(6-9-19-17)20-10-4-2-3-5-11-20/h6,9,14-15H,2-5,7-8,10-13H2,1H3.
What are the key properties of [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).