1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one

C13H21N3OS — CID 112550351

IUPAC1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C13H21N3OS/c1-11(13-15-7-10-18-13)14-6-5-12(17)16-8-3-2-4-9-16/h7,10-11,14H,2-6,8-9H2,1H3
InChIKeyBEJKSQUAIKNIRD-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.20
Rot. Bonds5

About 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one

1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one (PubChem CID 112550351) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
PubChem CID112550351
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C13H21N3OS/c1-11(13-15-7-10-18-13)14-6-5-12(17)16-8-3-2-4-9-16/h7,10-11,14H,2-6,8-9H2,1H3
InChIKeyBEJKSQUAIKNIRD-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
4-(azepan-1-yl)-4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 135099676

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one (CID 112550351) is 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one is CC(NCCC(=O)N1CCCCC1)c1nccs1.
What is the InChIKey of 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The InChIKey is BEJKSQUAIKNIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11(13-15-7-10-18-13)14-6-5-12(17)16-8-3-2-4-9-16/h7,10-11,14H,2-6,8-9H2,1H3.
What are the key properties of 1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one has a molecular weight of 267.40 g/mol, XLogP of 2.20, 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-(1,3-thiazol-2-yl)ethylamino]propan-1-one is sourced from PubChem (CID 112550351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).