4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide

C19H25N3O2S — CID 50975733

IUPAC4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccsc1CCNC(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-6-13-25-17(14)5-10-22-18(23)19(7-11-20-12-8-19)24-16-4-3-9-21-15(16)2/h3-4,6,9,13,20H,5,7-8,10-12H2,1-2H3,(H,22,23)
InChIKeySFOYDTPTMDRXFJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.62
Rot. Bonds6

About 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide

4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50975733) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID50975733
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccsc1CCNC(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-6-13-25-17(14)5-10-22-18(23)19(7-11-20-12-8-19)24-16-4-3-9-21-15(16)2/h3-4,6,9,13,20H,5,7-8,10-12H2,1-2H3,(H,22,23)
InChIKeySFOYDTPTMDRXFJ-UHFFFAOYSA-N
XLogP2.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide (CID 50975733) is 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide is Cc1ccsc1CCNC(=O)C1(Oc2cccnc2C)CCNCC1.
What is the InChIKey of 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is SFOYDTPTMDRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-6-13-25-17(14)5-10-22-18(23)19(7-11-20-12-8-19)24-16-4-3-9-21-15(16)2/h3-4,6,9,13,20H,5,7-8,10-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide?
4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-pyridinyl)oxy]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50975733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).