3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

C15H24N4O2S — CID 71865658

IUPAC3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCCC(CC(N)=O)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyUWXRGKFXULRDLO-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.54
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 71865658) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID71865658
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCCC(CC(N)=O)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyUWXRGKFXULRDLO-UHFFFAOYSA-N
XLogP1.54
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (CID 71865658) is 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is CCc1cnc(CCNC(=O)N2CCCC(CC(N)=O)C2)s1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is UWXRGKFXULRDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).