[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone

C19H25N3O2S — CID 45210126

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(N(C)Cc3ccsc3)nc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(11-16-7-9-25-14-16)18-6-5-17(10-20-18)19(23)22-8-3-4-15(12-22)13-24-2/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3
InChIKeyGPWJLLKZDMWCGF-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.28
Rot. Bonds6

About [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone

[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone (PubChem CID 45210126) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone
PubChem CID45210126
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(N(C)Cc3ccsc3)nc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(11-16-7-9-25-14-16)18-6-5-17(10-20-18)19(23)22-8-3-4-15(12-22)13-24-2/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3
InChIKeyGPWJLLKZDMWCGF-UHFFFAOYSA-N
XLogP3.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone (CID 45210126) is [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone is COCC1CCCN(C(=O)c2ccc(N(C)Cc3ccsc3)nc2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone?
The InChIKey is GPWJLLKZDMWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(11-16-7-9-25-14-16)18-6-5-17(10-20-18)19(23)22-8-3-4-15(12-22)13-24-2/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 45210126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).