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

C19H29N3O2S — CID 53149425

IUPACN-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C19H29N3O2S/c1-13(2)17(23)20-10-16-12-25-18(21-16)15-8-5-9-22(11-15)19(24)14-6-3-4-7-14/h12-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyCBMVAQPOOZBOEU-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.31
Rot. Bonds5

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

N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149425) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149425
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C19H29N3O2S/c1-13(2)17(23)20-10-16-12-25-18(21-16)15-8-5-9-22(11-15)19(24)14-6-3-4-7-14/h12-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyCBMVAQPOOZBOEU-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149425) is N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is CBMVAQPOOZBOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13(2)17(23)20-10-16-12-25-18(21-16)15-8-5-9-22(11-15)19(24)14-6-3-4-7-14/h12-15H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 363.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).