1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

C14H21N3O2S — CID 121122731

IUPAC1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2sc(C)nc2C)CC1
InChIInChI=1S/C14H21N3O2S/c1-9-13(20-10(2)16-9)8-15-14(19)12-4-6-17(7-5-12)11(3)18/h12H,4-8H2,1-3H3,(H,15,19)
InChIKeyKAMGNYCFPLREJP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.63
Rot. Bonds3

About 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 121122731) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID121122731
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2sc(C)nc2C)CC1
InChIInChI=1S/C14H21N3O2S/c1-9-13(20-10(2)16-9)8-15-14(19)12-4-6-17(7-5-12)11(3)18/h12H,4-8H2,1-3H3,(H,15,19)
InChIKeyKAMGNYCFPLREJP-UHFFFAOYSA-N
XLogP1.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 121122731) is 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2sc(C)nc2C)CC1.
What is the InChIKey of 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KAMGNYCFPLREJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-13(20-10(2)16-9)8-15-14(19)12-4-6-17(7-5-12)11(3)18/h12H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 121122731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).