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

C13H21N3OS — CID 114428592

IUPAC4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2nc(C)cs2)C1
InChIInChI=1S/C13H21N3OS/c1-3-10-4-5-14-11(6-10)13(17)15-7-12-16-9(2)8-18-12/h8,10-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyXELZVQUTJFSDIY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds4

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

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 114428592) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
PubChem CID114428592
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2nc(C)cs2)C1
InChIInChI=1S/C13H21N3OS/c1-3-10-4-5-14-11(6-10)13(17)15-7-12-16-9(2)8-18-12/h8,10-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyXELZVQUTJFSDIY-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114429032
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide (CID 114428592) is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)NCc2nc(C)cs2)C1.
What is the InChIKey of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is XELZVQUTJFSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-10-4-5-14-11(6-10)13(17)15-7-12-16-9(2)8-18-12/h8,10-11,14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114428592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).