(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

C15H24N4O2S — CID 96522626

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)/t11-/m1/s1
InChIKeyUWXRGKFXULRDLO-LLVKDONJSA-N
MW324.45 g/mol
LogP1.54
Rot. Bonds6

About (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 96522626) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID96522626
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)/t11-/m1/s1
InChIKeyUWXRGKFXULRDLO-LLVKDONJSA-N
XLogP1.54
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97059507
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111531705
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 138022873
(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 95968907
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111532840
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111511006

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (CID 96522626) is (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is CCc1cnc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)s1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is UWXRGKFXULRDLO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-12-9-18-14(22-12)5-6-17-15(21)19-7-3-4-11(10-19)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 96522626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).