4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

C16H27N5O2S — CID 51124475

IUPAC4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H27N5O2S/c1-3-20(4-2)11-7-17-14(22)13-5-9-21(10-6-13)16(23)19-15-18-8-12-24-15/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyROHNOXRVHKVGMD-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.85
Rot. Bonds7

About 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 51124475) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID51124475
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H27N5O2S/c1-3-20(4-2)11-7-17-14(22)13-5-9-21(10-6-13)16(23)19-15-18-8-12-24-15/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyROHNOXRVHKVGMD-UHFFFAOYSA-N
XLogP1.85
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (CID 51124475) is 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is CCN(CC)CCNC(=O)C1CCN(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is ROHNOXRVHKVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-3-20(4-2)11-7-17-14(22)13-5-9-21(10-6-13)16(23)19-15-18-8-12-24-15/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,22)(H,18,19,23).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 51124475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).