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

C13H21N3O2S — CID 71893411

IUPAC4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCC(CO)CC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)2-5-14-13(18)16-6-3-11(8-17)4-7-16/h9,11,17H,2-8H2,1H3,(H,14,18)
InChIKeyCYWRFXGWQRWVGU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.41
Rot. Bonds4

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

4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 71893411) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID71893411
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCC(CO)CC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)2-5-14-13(18)16-6-3-11(8-17)4-7-16/h9,11,17H,2-8H2,1H3,(H,14,18)
InChIKeyCYWRFXGWQRWVGU-UHFFFAOYSA-N
XLogP1.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (CID 71893411) is 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is Cc1nc(CCNC(=O)N2CCC(CO)CC2)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is CYWRFXGWQRWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)2-5-14-13(18)16-6-3-11(8-17)4-7-16/h9,11,17H,2-8H2,1H3,(H,14,18).
What are the key properties of 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71893411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).