[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C14H27N3OS — CID 54874597

IUPAC[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-11(2)16(3)8-12-4-6-17(7-5-12)14(18)13-9-19-10-15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyWBLVKNXZGORVAP-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.23
Rot. Bonds4

About [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 54874597) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID54874597
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-11(2)16(3)8-12-4-6-17(7-5-12)14(18)13-9-19-10-15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyWBLVKNXZGORVAP-UHFFFAOYSA-N
XLogP1.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 54874597) is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CC(C)N(C)CC1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is WBLVKNXZGORVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-11(2)16(3)8-12-4-6-17(7-5-12)14(18)13-9-19-10-15-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 285.46 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 54874597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).