N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C19H23N3O2S — CID 24791013

IUPACN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccn3)C2)s1
InChIInChI=1S/C19H23N3O2S/c1-14-5-7-17(25-14)12-21-19(24)15-6-8-18(23)22(13-15)11-9-16-4-2-3-10-20-16/h2-5,7,10,15H,6,8-9,11-13H2,1H3,(H,21,24)
InChIKeyUTHUVIGAWCTMKB-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.55
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24791013) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID24791013
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccn3)C2)s1
InChIInChI=1S/C19H23N3O2S/c1-14-5-7-17(25-14)12-21-19(24)15-6-8-18(23)22(13-15)11-9-16-4-2-3-10-20-16/h2-5,7,10,15H,6,8-9,11-13H2,1H3,(H,21,24)
InChIKeyUTHUVIGAWCTMKB-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 24791013) is N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccn3)C2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is UTHUVIGAWCTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-5-7-17(25-14)12-21-19(24)15-6-8-18(23)22(13-15)11-9-16-4-2-3-10-20-16/h2-5,7,10,15H,6,8-9,11-13H2,1H3,(H,21,24).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24791013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).