4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide

C17H22N4O2S — CID 75442026

IUPAC4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide
SMILESCOCC1(C)CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C17H22N4O2S/c1-17(12-23-2)7-9-21(10-8-17)16(22)18-14-5-3-13(4-6-14)15-11-24-20-19-15/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)
InChIKeyRVSUWSHOSCRAHQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.49
Rot. Bonds4

About 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide

4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide (PubChem CID 75442026) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide
PubChem CID75442026
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide
SMILESCOCC1(C)CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C17H22N4O2S/c1-17(12-23-2)7-9-21(10-8-17)16(22)18-14-5-3-13(4-6-14)15-11-24-20-19-15/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)
InChIKeyRVSUWSHOSCRAHQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
CID 60577463
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 154874344
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
4-(methylsulfamoyl)-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984008

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide (CID 75442026) is 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide is COCC1(C)CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is RVSUWSHOSCRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(12-23-2)7-9-21(10-8-17)16(22)18-14-5-3-13(4-6-14)15-11-24-20-19-15/h3-6,11H,7-10,12H2,1-2H3,(H,18,22).
What are the key properties of 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide?
4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 75442026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).