2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one

C18H26N2O3S — CID 45186826

IUPAC2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C18H26N2O3S/c1-18(2,3)17(22)20-8-4-5-13(20)14-6-7-15(24-14)16(21)19-9-11-23-12-10-19/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyANXXTKUNPBWQEC-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.93
Rot. Bonds2

About 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 45186826) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID45186826
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C18H26N2O3S/c1-18(2,3)17(22)20-8-4-5-13(20)14-6-7-15(24-14)16(21)19-9-11-23-12-10-19/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyANXXTKUNPBWQEC-UHFFFAOYSA-N
XLogP2.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
[5-(Morpholine-4-carbonyl)-thiophen-2-yl]-morpholin-4-yl-methanone
CID 723574
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-2-yl)-methanone
CID 11695753
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2477180
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3237806
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057
4-{[5-(1-Acetyl-2-pyrrolidinyl)-2-thienyl]carbonyl}morpholine
CID 45204396
4-[(4-{[5-(2-Pyrrolidinyl)-2-thienyl]carbonyl}-1-piperazinyl)carbonyl]morpholine
CID 45204442
5-[1-(methoxyacetyl)-2-pyrrolidinyl]-N-[2-(1-piperidinyl)ethyl]-2-thiophenecarboxamide
CID 45228855
4-{[5-(1-Propyl-2-pyrrolidinyl)-2-thienyl]carbonyl}morpholine
CID 45248906

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one (CID 45186826) is 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ANXXTKUNPBWQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-18(2,3)17(22)20-8-4-5-13(20)14-6-7-15(24-14)16(21)19-9-11-23-12-10-19/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 350.48 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 45186826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).