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

C20H32N4O2S — CID 33211035

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC1CCN(Cc2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)CC1
InChIInChI=1S/C20H32N4O2S/c1-14(2)19(26)24-10-6-16(7-11-24)18(25)22-20-21-17(13-27-20)12-23-8-4-15(3)5-9-23/h13-16H,4-12H2,1-3H3,(H,21,22,25)
InChIKeyHTVRFCRNECAPFN-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.21
Rot. Bonds5

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

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 33211035) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID33211035
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC1CCN(Cc2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)CC1
InChIInChI=1S/C20H32N4O2S/c1-14(2)19(26)24-10-6-16(7-11-24)18(25)22-20-21-17(13-27-20)12-23-8-4-15(3)5-9-23/h13-16H,4-12H2,1-3H3,(H,21,22,25)
InChIKeyHTVRFCRNECAPFN-UHFFFAOYSA-N
XLogP3.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868762
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 30187243
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 30186524
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30185625
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 33211035) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC1CCN(Cc2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is HTVRFCRNECAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-14(2)19(26)24-10-6-16(7-11-24)18(25)22-20-21-17(13-27-20)12-23-8-4-15(3)5-9-23/h13-16H,4-12H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 33211035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).