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

C13H21N3OS — CID 63131523

IUPAC3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2nc(C)cs2)CCCNC1
InChIInChI=1S/C13H21N3OS/c1-3-13(5-4-6-14-9-13)12(17)15-7-11-16-10(2)8-18-11/h8,14H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyMAKWIWXPDJFNSG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds4

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

3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 63131523) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID63131523
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2nc(C)cs2)CCCNC1
InChIInChI=1S/C13H21N3OS/c1-3-13(5-4-6-14-9-13)12(17)15-7-11-16-10(2)8-18-11/h8,14H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyMAKWIWXPDJFNSG-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

3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 55167016
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 76921463
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (CID 63131523) is 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is CCC1(C(=O)NCc2nc(C)cs2)CCCNC1.
What is the InChIKey of 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MAKWIWXPDJFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-13(5-4-6-14-9-13)12(17)15-7-11-16-10(2)8-18-11/h8,14H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-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 3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63131523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).