N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C21H29N3O2S — CID 25379592

IUPACN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)c2scnc2C)CC1
InChIInChI=1S/C21H29N3O2S/c1-16-20(27-15-22-16)21(25)23(2)14-17-8-11-24(12-9-17)13-10-18-6-4-5-7-19(18)26-3/h4-7,15,17H,8-14H2,1-3H3
InChIKeyNRUWUJDOXLFHFB-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.49
Rot. Bonds7

About N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 25379592) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID25379592
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)c2scnc2C)CC1
InChIInChI=1S/C21H29N3O2S/c1-16-20(27-15-22-16)21(25)23(2)14-17-8-11-24(12-9-17)13-10-18-6-4-5-7-19(18)26-3/h4-7,15,17H,8-14H2,1-3H3
InChIKeyNRUWUJDOXLFHFB-UHFFFAOYSA-N
XLogP3.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42595998
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45234391
1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 45187565
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 97280831
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 45213997
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45198903
(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
CID 42310496
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 72845348
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 97269542
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 25379592) is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccccc1CCN1CCC(CN(C)C(=O)c2scnc2C)CC1.
What is the InChIKey of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NRUWUJDOXLFHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-16-20(27-15-22-16)21(25)23(2)14-17-8-11-24(12-9-17)13-10-18-6-4-5-7-19(18)26-3/h4-7,15,17H,8-14H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25379592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).