3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide

C14H23N3OS — CID 71809994

IUPAC3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)10-12(18)16-11-4-7-17(8-5-11)13-15-6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,18)
InChIKeyBGFUZMZFUOZBQK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.66
Rot. Bonds3

About 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide (PubChem CID 71809994) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
PubChem CID71809994
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)10-12(18)16-11-4-7-17(8-5-11)13-15-6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,18)
InChIKeyBGFUZMZFUOZBQK-UHFFFAOYSA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide (CID 71809994) is 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide is CC(C)(C)CC(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide?
The InChIKey is BGFUZMZFUOZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)10-12(18)16-11-4-7-17(8-5-11)13-15-6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide has a molecular weight of 281.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 71809994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).