7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N2O3S — CID 72861910

IUPAC7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C19H28N2O3S/c1-3-5-16-12-15(13-25-16)17(22)21-9-7-19(14-21)6-4-8-20(18(19)23)10-11-24-2/h12-13H,3-11,14H2,1-2H3
InChIKeyAAMTYIGGNAGDEI-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.80
Rot. Bonds6

About 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72861910) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72861910
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C19H28N2O3S/c1-3-5-16-12-15(13-25-16)17(22)21-9-7-19(14-21)6-4-8-20(18(19)23)10-11-24-2/h12-13H,3-11,14H2,1-2H3
InChIKeyAAMTYIGGNAGDEI-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3236764
4-({5-[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)morpholine
CID 45186826
4-{[5-(1-Propyl-2-pyrrolidinyl)-2-thienyl]carbonyl}morpholine
CID 45248906
N-(2-methoxyethyl)-3-methyl-1-(4-phenylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 49778628
Morpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690064
2-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72850034
7-(Cyclopropylmethyl)-2-[(5-ethyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72897211
2-[(5-Propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72915727
7-(2-Hydroxyethyl)-2-[(5-propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918483
2-[(5-Ethyl-3-thienyl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921732
7-Methyl-2-[(5-methyl-4-phenyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72922240
2-(2-Methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370185

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72861910) is 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1.
What is the InChIKey of 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AAMTYIGGNAGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-5-16-12-15(13-25-16)17(22)21-9-7-19(14-21)6-4-8-20(18(19)23)10-11-24-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72861910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).