3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

C14H22N4O2S — CID 71893406

IUPAC3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCCc2csc(C)n2)C1
InChIInChI=1S/C14H22N4O2S/c1-10(19)16-12-4-3-7-18(8-12)14(20)15-6-5-13-9-21-11(2)17-13/h9,12H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyVQHOKEXVUIIKHY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.30
Rot. Bonds4

About 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 71893406) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID71893406
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCCc2csc(C)n2)C1
InChIInChI=1S/C14H22N4O2S/c1-10(19)16-12-4-3-7-18(8-12)14(20)15-6-5-13-9-21-11(2)17-13/h9,12H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyVQHOKEXVUIIKHY-UHFFFAOYSA-N
XLogP1.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (CID 71893406) is 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is CC(=O)NC1CCCN(C(=O)NCCc2csc(C)n2)C1.
What is the InChIKey of 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is VQHOKEXVUIIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(19)16-12-4-3-7-18(8-12)14(20)15-6-5-13-9-21-11(2)17-13/h9,12H,3-8H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71893406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).