N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C20H31N3O2S — CID 53149356

IUPACN-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C20H31N3O2S/c1-14(2)18(24)21-12-17-13-26-19(22-17)15-8-10-23(11-9-15)20(25)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyVBUWLQQHDSBNHT-UHFFFAOYSA-N
MW377.55 g/mol
LogP3.70
Rot. Bonds5

About N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149356) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149356
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C20H31N3O2S/c1-14(2)18(24)21-12-17-13-26-19(22-17)15-8-10-23(11-9-15)20(25)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyVBUWLQQHDSBNHT-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149356) is N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is VBUWLQQHDSBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-14(2)18(24)21-12-17-13-26-19(22-17)15-8-10-23(11-9-15)20(25)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 377.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).