N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

C15H21N3O2S — CID 95828345

IUPACN-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(=O)C3CCC3)CC2)cs1
InChIInChI=1S/C15H21N3O2S/c1-10(19)16-15-17-13(9-21-15)11-5-7-18(8-6-11)14(20)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,16,17,19)
InChIKeyPJUKSUCNLCAGEH-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.61
Rot. Bonds3

About N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95828345) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95828345
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(=O)C3CCC3)CC2)cs1
InChIInChI=1S/C15H21N3O2S/c1-10(19)16-15-17-13(9-21-15)11-5-7-18(8-6-11)14(20)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,16,17,19)
InChIKeyPJUKSUCNLCAGEH-UHFFFAOYSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (CID 95828345) is N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCN(C(=O)C3CCC3)CC2)cs1.
What is the InChIKey of N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PJUKSUCNLCAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(19)16-15-17-13(9-21-15)11-5-7-18(8-6-11)14(20)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,16,17,19).
What are the key properties of N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95828345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).