1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one

C12H19N3OS — CID 112686333

IUPAC1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1cscn1)N1CCCCC1
InChIInChI=1S/C12H19N3OS/c16-12(15-6-2-1-3-7-15)4-5-13-8-11-9-17-10-14-11/h9-10,13H,1-8H2
InChIKeyQGHLYQZSCQZHIF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.64
Rot. Bonds5

About 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one

1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one (PubChem CID 112686333) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
PubChem CID112686333
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1cscn1)N1CCCCC1
InChIInChI=1S/C12H19N3OS/c16-12(15-6-2-1-3-7-15)4-5-13-8-11-9-17-10-14-11/h9-10,13H,1-8H2
InChIKeyQGHLYQZSCQZHIF-UHFFFAOYSA-N
XLogP1.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 141149207
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one (CID 112686333) is 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one is O=C(CCNCc1cscn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one?
The InChIKey is QGHLYQZSCQZHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-12(15-6-2-1-3-7-15)4-5-13-8-11-9-17-10-14-11/h9-10,13H,1-8H2.
What are the key properties of 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one?
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one has a molecular weight of 253.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one is sourced from PubChem (CID 112686333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).