(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C20H32N4O3S — CID 31015907

IUPAC(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1
InChIInChI=1S/C20H32N4O3S/c1-2-17-15-28-18(22-17)6-7-21-20(26)16-4-5-19(25)24(14-16)9-3-8-23-10-12-27-13-11-23/h15-16H,2-14H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyULOFUEUQMGFENW-INIZCTEOSA-N
MW408.57 g/mol
LogP1.33
Rot. Bonds9

About (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 31015907) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID31015907
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1
InChIInChI=1S/C20H32N4O3S/c1-2-17-15-28-18(22-17)6-7-21-20(26)16-4-5-19(25)24(14-16)9-3-8-23-10-12-27-13-11-23/h15-16H,2-14H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyULOFUEUQMGFENW-INIZCTEOSA-N
XLogP1.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 31015905
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25395779
(3R)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25395775
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 72924482
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42516631
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229
(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 28768875
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014
(3S)-N-(2-imidazol-1-ylethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 97146221
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 31015907) is (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1.
What is the InChIKey of (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ULOFUEUQMGFENW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-2-17-15-28-18(22-17)6-7-21-20(26)16-4-5-19(25)24(14-16)9-3-8-23-10-12-27-13-11-23/h15-16H,2-14H2,1H3,(H,21,26)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 31015907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).