4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C18H25N3O2S — CID 120626172

IUPAC4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3nc(C(C)C)sc3c2)CCNCC1
InChIInChI=1S/C18H25N3O2S/c1-12(2)16-21-14-5-4-13(10-15(14)24-16)20-17(22)18(11-23-3)6-8-19-9-7-18/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,22)
InChIKeySYBOESCPGMNIHN-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.37
Rot. Bonds5

About 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 120626172) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID120626172
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3nc(C(C)C)sc3c2)CCNCC1
InChIInChI=1S/C18H25N3O2S/c1-12(2)16-21-14-5-4-13(10-15(14)24-16)20-17(22)18(11-23-3)6-8-19-9-7-18/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,22)
InChIKeySYBOESCPGMNIHN-UHFFFAOYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120640187
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 95169004
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120622699
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119774008
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 120620812
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 119753621
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 120626172) is 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc3nc(C(C)C)sc3c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is SYBOESCPGMNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(2)16-21-14-5-4-13(10-15(14)24-16)20-17(22)18(11-23-3)6-8-19-9-7-18/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,22).
What are the key properties of 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120626172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).