(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone

C13H19N3OS — CID 53015911

IUPAC(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(N2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C13H19N3OS/c17-12(15-6-4-5-7-15)11-10-18-13(14-11)16-8-2-1-3-9-16/h10H,1-9H2
InChIKeyFRTCNDAKCOQPGD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.37
Rot. Bonds2

About (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone

(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 53015911) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID53015911
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(N2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C13H19N3OS/c17-12(15-6-4-5-7-15)11-10-18-13(14-11)16-8-2-1-3-9-16/h10H,1-9H2
InChIKeyFRTCNDAKCOQPGD-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone (CID 53015911) is (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1csc(N2CCCCC2)n1)N1CCCC1.
What is the InChIKey of (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FRTCNDAKCOQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-12(15-6-4-5-7-15)11-10-18-13(14-11)16-8-2-1-3-9-16/h10H,1-9H2.
What are the key properties of (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone?
(2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).