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

C18H23N3O2S — CID 120622812

IUPAC4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H23N3O2S/c1-23-13-18(7-9-19-10-8-18)17(22)20-11-15-12-24-16(21-15)14-5-3-2-4-6-14/h2-6,12,19H,7-11,13H2,1H3,(H,20,22)
InChIKeyNNNBRECEUZRONK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.44
Rot. Bonds6

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

4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 120622812) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID120622812
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H23N3O2S/c1-23-13-18(7-9-19-10-8-18)17(22)20-11-15-12-24-16(21-15)14-5-3-2-4-6-14/h2-6,12,19H,7-11,13H2,1H3,(H,20,22)
InChIKeyNNNBRECEUZRONK-UHFFFAOYSA-N
XLogP2.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618533
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
4-(methoxymethyl)-N-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 120645665
4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 120622812) is 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is COCC1(C(=O)NCc2csc(-c3ccccc3)n2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is NNNBRECEUZRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-23-13-18(7-9-19-10-8-18)17(22)20-11-15-12-24-16(21-15)14-5-3-2-4-6-14/h2-6,12,19H,7-11,13H2,1H3,(H,20,22).
What are the key properties of 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).