1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

C15H25N3O2S — CID 119662595

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCC(OCCCN)CC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-2-14-17-12(11-21-14)10-15(19)18-7-4-13(5-8-18)20-9-3-6-16/h11,13H,2-10,16H2,1H3
InChIKeyILPTXCKMHDTJIU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.60
Rot. Bonds7

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (PubChem CID 119662595) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
PubChem CID119662595
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCC(OCCCN)CC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-2-14-17-12(11-21-14)10-15(19)18-7-4-13(5-8-18)20-9-3-6-16/h11,13H,2-10,16H2,1H3
InChIKeyILPTXCKMHDTJIU-UHFFFAOYSA-N
XLogP1.60
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119663090
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450872
1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 82547566
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796
methyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 82547502
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818959
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 94600648
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (CID 119662595) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is CCc1nc(CC(=O)N2CCC(OCCCN)CC2)cs1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ILPTXCKMHDTJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-14-17-12(11-21-14)10-15(19)18-7-4-13(5-8-18)20-9-3-6-16/h11,13H,2-10,16H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 311.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 119662595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).