2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C18H28N2OS — CID 110354412

IUPAC2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1nc(C2CCN(C(=O)C(C)C3CCCC3)CC2)sc1C
InChIInChI=1S/C18H28N2OS/c1-12(15-6-4-5-7-15)18(21)20-10-8-16(9-11-20)17-19-13(2)14(3)22-17/h12,15-16H,4-11H2,1-3H3
InChIKeyYVPLVVYQXYZZNK-UHFFFAOYSA-N
MW320.50 g/mol
LogP4.29
Rot. Bonds3

About 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110354412) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110354412
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1nc(C2CCN(C(=O)C(C)C3CCCC3)CC2)sc1C
InChIInChI=1S/C18H28N2OS/c1-12(15-6-4-5-7-15)18(21)20-10-8-16(9-11-20)17-19-13(2)14(3)22-17/h12,15-16H,4-11H2,1-3H3
InChIKeyYVPLVVYQXYZZNK-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 110354412) is 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is Cc1nc(C2CCN(C(=O)C(C)C3CCCC3)CC2)sc1C.
What is the InChIKey of 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YVPLVVYQXYZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-12(15-6-4-5-7-15)18(21)20-10-8-16(9-11-20)17-19-13(2)14(3)22-17/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 320.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110354412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).