[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C12H23N3OS — CID 54874454

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCN(C)CC1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H23N3OS/c1-14(2)7-10-3-5-15(6-4-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHNCIJEBJMLIGAU-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.45
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 54874454) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID54874454
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCN(C)CC1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H23N3OS/c1-14(2)7-10-3-5-15(6-4-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHNCIJEBJMLIGAU-UHFFFAOYSA-N
XLogP0.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 54874454) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CN(C)CC1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is HNCIJEBJMLIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-14(2)7-10-3-5-15(6-4-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 257.40 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 54874454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).