4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid

C15H23N3O3S — CID 122023263

IUPAC4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCc1csc(C2CCCN(C(=O)NCCCC(=O)O)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-2-12-10-22-14(17-12)11-5-4-8-18(9-11)15(21)16-7-3-6-13(19)20/h10-11H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyOHRVAYCDHVYEDC-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.46
Rot. Bonds6

About 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid

4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122023263) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122023263
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCc1csc(C2CCCN(C(=O)NCCCC(=O)O)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-2-12-10-22-14(17-12)11-5-4-8-18(9-11)15(21)16-7-3-6-13(19)20/h10-11H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyOHRVAYCDHVYEDC-UHFFFAOYSA-N
XLogP2.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid (CID 122023263) is 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid is CCc1csc(C2CCCN(C(=O)NCCCC(=O)O)C2)n1.
What is the InChIKey of 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is OHRVAYCDHVYEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-12-10-22-14(17-12)11-5-4-8-18(9-11)15(21)16-7-3-6-13(19)20/h10-11H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid?
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 325.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122023263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).