1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

C14H21N3O2S — CID 110746479

IUPAC1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ncc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-9-16-13(20-10)3-6-15-14(19)12-4-7-17(8-5-12)11(2)18/h9,12H,3-8H2,1-2H3,(H,15,19)
InChIKeyTWFQCPFAIYXHGL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.37
Rot. Bonds4

About 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110746479) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID110746479
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ncc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-9-16-13(20-10)3-6-15-14(19)12-4-7-17(8-5-12)11(2)18/h9,12H,3-8H2,1-2H3,(H,15,19)
InChIKeyTWFQCPFAIYXHGL-UHFFFAOYSA-N
XLogP1.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
1-acetyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperidine-4-carboxamide
CID 18120375
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (CID 110746479) is 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ncc(C)s2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is TWFQCPFAIYXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-9-16-13(20-10)3-6-15-14(19)12-4-7-17(8-5-12)11(2)18/h9,12H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110746479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).