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

C17H21N3O2S — CID 119694020

IUPAC4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCNCC1
InChIInChI=1S/C17H21N3O2S/c1-12-19-15(11-23-12)13-3-5-14(6-4-13)20-16(21)17(22-2)7-9-18-10-8-17/h3-6,11,18H,7-10H2,1-2H3,(H,20,21)
InChIKeyATCYGSGUVCFBMD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.83
Rot. Bonds4

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

4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 119694020) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID119694020
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCNCC1
InChIInChI=1S/C17H21N3O2S/c1-12-19-15(11-23-12)13-3-5-14(6-4-13)20-16(21)17(22-2)7-9-18-10-8-17/h3-6,11,18H,7-10H2,1-2H3,(H,20,21)
InChIKeyATCYGSGUVCFBMD-UHFFFAOYSA-N
XLogP2.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943997
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119700058
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
4-methoxy-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]piperidine-4-carboxamide
CID 119762145
4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
CID 119757450

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 119694020) is 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is COC1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is ATCYGSGUVCFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-19-15(11-23-12)13-3-5-14(6-4-13)20-16(21)17(22-2)7-9-18-10-8-17/h3-6,11,18H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119694020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).