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

C16H27N3OS — CID 72926628

IUPAC1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCCc2nc(C)cs2)C1
InChIInChI=1S/C16H27N3OS/c1-4-19-10-6-8-16(3,12-19)15(20)17-9-5-7-14-18-13(2)11-21-14/h11H,4-10,12H2,1-3H3,(H,17,20)
InChIKeyCBAYCQHYFRSOHD-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.62
Rot. Bonds6

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

1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide (PubChem CID 72926628) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
PubChem CID72926628
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCCc2nc(C)cs2)C1
InChIInChI=1S/C16H27N3OS/c1-4-19-10-6-8-16(3,12-19)15(20)17-9-5-7-14-18-13(2)11-21-14/h11H,4-10,12H2,1-3H3,(H,17,20)
InChIKeyCBAYCQHYFRSOHD-UHFFFAOYSA-N
XLogP2.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide (CID 72926628) is 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide is CCN1CCCC(C)(C(=O)NCCCc2nc(C)cs2)C1.
What is the InChIKey of 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The InChIKey is CBAYCQHYFRSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-19-10-6-8-16(3,12-19)15(20)17-9-5-7-14-18-13(2)11-21-14/h11H,4-10,12H2,1-3H3,(H,17,20).
What are the key properties of 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72926628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).