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

C17H27N3O2S — CID 51099994

IUPACN,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCCc1nc(CC(=O)N2CCC(C(=O)N(CC)CC)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-4-15-18-14(12-23-15)11-16(21)20-9-7-13(8-10-20)17(22)19(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyZAINUABSRGJAKS-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.36
Rot. Bonds6

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

N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide (PubChem CID 51099994) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
PubChem CID51099994
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCCc1nc(CC(=O)N2CCC(C(=O)N(CC)CC)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-4-15-18-14(12-23-15)11-16(21)20-9-7-13(8-10-20)17(22)19(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyZAINUABSRGJAKS-UHFFFAOYSA-N
XLogP2.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide (CID 51099994) is N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide is CCc1nc(CC(=O)N2CCC(C(=O)N(CC)CC)CC2)cs1.
What is the InChIKey of N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is ZAINUABSRGJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-15-18-14(12-23-15)11-16(21)20-9-7-13(8-10-20)17(22)19(5-2)6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 51099994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).