(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone

C9H17N3OS — CID 146400915

IUPAC(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESNC1(C(=O)N2CCSC2)CCNCC1
InChIInChI=1S/C9H17N3OS/c10-9(1-3-11-4-2-9)8(13)12-5-6-14-7-12/h11H,1-7,10H2
InChIKeyTZJJVCIZVMSMRK-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.40
Rot. Bonds1

About (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone

(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 146400915) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID146400915
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESNC1(C(=O)N2CCSC2)CCNCC1
InChIInChI=1S/C9H17N3OS/c10-9(1-3-11-4-2-9)8(13)12-5-6-14-7-12/h11H,1-7,10H2
InChIKeyTZJJVCIZVMSMRK-UHFFFAOYSA-N
XLogP-0.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone (CID 146400915) is (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone is NC1(C(=O)N2CCSC2)CCNCC1.
What is the InChIKey of (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is TZJJVCIZVMSMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c10-9(1-3-11-4-2-9)8(13)12-5-6-14-7-12/h11H,1-7,10H2.
What are the key properties of (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone?
(4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 215.32 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-4-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 146400915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).