2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C20H31N5O3S — CID 117084018

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C20H31N5O3S/c26-18-3-1-7-24(18)8-2-6-21-19(27)17-15-22-20(29-17)25-9-4-16(5-10-25)23-11-13-28-14-12-23/h15-16H,1-14H2,(H,21,27)
InChIKeyMUPXUNDSGVAMEE-UHFFFAOYSA-N
MW421.57 g/mol
LogP1.19
Rot. Bonds7

About 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 117084018) has the molecular formula C20H31N5O3S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID117084018
Molecular FormulaC20H31N5O3S
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C20H31N5O3S/c26-18-3-1-7-24(18)8-2-6-21-19(27)17-15-22-20(29-17)25-9-4-16(5-10-25)23-11-13-28-14-12-23/h15-16H,1-14H2,(H,21,27)
InChIKeyMUPXUNDSGVAMEE-UHFFFAOYSA-N
XLogP1.19
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 117084018) is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MUPXUNDSGVAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S/c26-18-3-1-7-24(18)8-2-6-21-19(27)17-15-22-20(29-17)25-9-4-16(5-10-25)23-11-13-28-14-12-23/h15-16H,1-14H2,(H,21,27).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).