N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C17H27N3O3S — CID 72898570

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1
InChIInChI=1S/C17H27N3O3S/c1-12-13(2)24-15(19-12)5-4-8-18-17(22)14-6-9-20(10-7-14)16(21)11-23-3/h14H,4-11H2,1-3H3,(H,18,22)
InChIKeyPTPKYKQITRRVGT-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.69
Rot. Bonds7

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 72898570) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID72898570
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1
InChIInChI=1S/C17H27N3O3S/c1-12-13(2)24-15(19-12)5-4-8-18-17(22)14-6-9-20(10-7-14)16(21)11-23-3/h14H,4-11H2,1-3H3,(H,18,22)
InChIKeyPTPKYKQITRRVGT-UHFFFAOYSA-N
XLogP1.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.69
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

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72879635
methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 91784960
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
CID 97119377
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
1-(2-methoxyacetyl)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 72863250
N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 55954715
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796
(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 124569912
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97267996
1-(2-methoxyacetyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide
CID 72922739
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 72898570) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is PTPKYKQITRRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-13(2)24-15(19-12)5-4-8-18-17(22)14-6-9-20(10-7-14)16(21)11-23-3/h14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 72898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).