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

C19H25N3O2S — CID 50956151

IUPACN-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-6-12-25-17(14)13-22(3)18(23)19(7-10-20-11-8-19)24-16-5-4-9-21-15(16)2/h4-6,9,12,20H,7-8,10-11,13H2,1-3H3
InChIKeyHRCJRXHVTZOZIX-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.92
Rot. Bonds5

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

N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 50956151) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID50956151
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-6-12-25-17(14)13-22(3)18(23)19(7-10-20-11-8-19)24-16-5-4-9-21-15(16)2/h4-6,9,12,20H,7-8,10-11,13H2,1-3H3
InChIKeyHRCJRXHVTZOZIX-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 50956151) is N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is Cc1ccsc1CN(C)C(=O)C1(Oc2cccnc2C)CCNCC1.
What is the InChIKey of N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HRCJRXHVTZOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-6-12-25-17(14)13-22(3)18(23)19(7-10-20-11-8-19)24-16-5-4-9-21-15(16)2/h4-6,9,12,20H,7-8,10-11,13H2,1-3H3.
What are the key properties of N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50956151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).