N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C10H15N3OS — CID 61284459

IUPACN-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1nccs1)C1CCNCC1
InChIInChI=1S/C10H15N3OS/c14-10(8-1-3-11-4-2-8)13-7-9-12-5-6-15-9/h5-6,8,11H,1-4,7H2,(H,13,14)
InChIKeyZNLWJRAININHHJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.76
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 61284459) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID61284459
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1nccs1)C1CCNCC1
InChIInChI=1S/C10H15N3OS/c14-10(8-1-3-11-4-2-8)13-7-9-12-5-6-15-9/h5-6,8,11H,1-4,7H2,(H,13,14)
InChIKeyZNLWJRAININHHJ-UHFFFAOYSA-N
XLogP0.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 61284459) is N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1nccs1)C1CCNCC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZNLWJRAININHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(8-1-3-11-4-2-8)13-7-9-12-5-6-15-9/h5-6,8,11H,1-4,7H2,(H,13,14).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 61284459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).