N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H23N3O2S — CID 72861292

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCN2CCCCC2CO)cs1
InChIInChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)8-14(19)15-5-7-17-6-3-2-4-13(17)9-18/h10,13,18H,2-9H2,1H3,(H,15,19)
InChIKeyHZNSQHXWYHRXAT-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.96
Rot. Bonds6

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

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 72861292) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID72861292
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCN2CCCCC2CO)cs1
InChIInChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)8-14(19)15-5-7-17-6-3-2-4-13(17)9-18/h10,13,18H,2-9H2,1H3,(H,15,19)
InChIKeyHZNSQHXWYHRXAT-UHFFFAOYSA-N
XLogP0.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 72861292) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCCN2CCCCC2CO)cs1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HZNSQHXWYHRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)8-14(19)15-5-7-17-6-3-2-4-13(17)9-18/h10,13,18H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 72861292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).