methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate

C15H23N3O3S — CID 110450716

IUPACmethyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2csc(CCCN)n2)CC1
InChIInChI=1S/C15H23N3O3S/c1-21-15(20)11-4-7-18(8-5-11)14(19)9-12-10-22-13(17-12)3-2-6-16/h10-11H,2-9,16H2,1H3
InChIKeyFHXUADFACDMBNK-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.99
Rot. Bonds6

About methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate (PubChem CID 110450716) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
PubChem CID110450716
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Namemethyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2csc(CCCN)n2)CC1
InChIInChI=1S/C15H23N3O3S/c1-21-15(20)11-4-7-18(8-5-11)14(19)9-12-10-22-13(17-12)3-2-6-16/h10-11H,2-9,16H2,1H3
InChIKeyFHXUADFACDMBNK-UHFFFAOYSA-N
XLogP0.99
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 82547502
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
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
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110450808
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 119662595
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate (CID 110450716) is methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2csc(CCCN)n2)CC1.
What is the InChIKey of methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is FHXUADFACDMBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-21-15(20)11-4-7-18(8-5-11)14(19)9-12-10-22-13(17-12)3-2-6-16/h10-11H,2-9,16H2,1H3.
What are the key properties of methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 110450716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).