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

C18H26N2O3S — CID 72918483

IUPAC7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)cs1
InChIInChI=1S/C18H26N2O3S/c1-2-4-15-11-14(12-24-15)16(22)20-8-6-18(13-20)5-3-7-19(9-10-21)17(18)23/h11-12,21H,2-10,13H2,1H3
InChIKeyMNCJHYVQPFEHBV-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.15
Rot. Bonds5

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

7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72918483) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72918483
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)cs1
InChIInChI=1S/C18H26N2O3S/c1-2-4-15-11-14(12-24-15)16(22)20-8-6-18(13-20)5-3-7-19(9-10-21)17(18)23/h11-12,21H,2-10,13H2,1H3
InChIKeyMNCJHYVQPFEHBV-UHFFFAOYSA-N
XLogP2.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-methyl-1-(4-phenylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 49778628
2-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72850034
7-(2-Methoxyethyl)-2-[(5-propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861910
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
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
[4-Phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42680175
[4-(4-Methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680502
7-(2-Cyclohexylethyl)-2-(2-thienylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170053
N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184656
N-(2-methoxyethyl)-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184667

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72918483) is 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1cc(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)cs1.
What is the InChIKey of 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MNCJHYVQPFEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-4-15-11-14(12-24-15)16(22)20-8-6-18(13-20)5-3-7-19(9-10-21)17(18)23/h11-12,21H,2-10,13H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72918483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).