4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride

C15H27Cl2N3OS — CID 120565277

IUPAC4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
SMILESCCc1csc(C2CCCN(C(=O)CCC(C)N)C2)n1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-3-13-10-20-15(17-13)12-5-4-8-18(9-12)14(19)7-6-11(2)16;;/h10-12H,3-9,16H2,1-2H3;2*1H
InChIKeyANXLUXPWWBYYAE-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.38
Rot. Bonds5

About 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride

4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120565277) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120565277
Molecular FormulaC15H27Cl2N3OS
Molecular Weight368.37 g/mol
Exact Mass367.13
IUPAC Name4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
SMILESCCc1csc(C2CCCN(C(=O)CCC(C)N)C2)n1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-3-13-10-20-15(17-13)12-5-4-8-18(9-12)14(19)7-6-11(2)16;;/h10-12H,3-9,16H2,1-2H3;2*1H
InChIKeyANXLUXPWWBYYAE-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873612
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119873585
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride (CID 120565277) is 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride is CCc1csc(C2CCCN(C(=O)CCC(C)N)C2)n1.Cl.Cl.
What is the InChIKey of 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is ANXLUXPWWBYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/c1-3-13-10-20-15(17-13)12-5-4-8-18(9-12)14(19)7-6-11(2)16;;/h10-12H,3-9,16H2,1-2H3;2*1H.
What are the key properties of 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).