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

C11H17N3O2S — CID 114041967

IUPAC4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nccs2)CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-16-8-11(2-4-12-5-3-11)9(15)14-10-13-6-7-17-10/h6-7,12H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyYLIHBRLDYFOHND-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.10
Rot. Bonds4

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

4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 114041967) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID114041967
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nccs2)CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-16-8-11(2-4-12-5-3-11)9(15)14-10-13-6-7-17-10/h6-7,12H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyYLIHBRLDYFOHND-UHFFFAOYSA-N
XLogP1.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639846
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823
4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639856
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 114041967) is 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is COCC1(C(=O)Nc2nccs2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YLIHBRLDYFOHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-8-11(2-4-12-5-3-11)9(15)14-10-13-6-7-17-10/h6-7,12H,2-5,8H2,1H3,(H,13,14,15).
What are the key properties of 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 114041967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).