(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C22H26N2O3S — CID 97383991

IUPAC(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C22H26N2O3S/c1-27-14-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-15-28-19/h2-8,15,18H,9-14,16H2,1H3/t18-/m1/s1
InChIKeyIXHGIWFDECEPEI-GOSISDBHSA-N
MW398.53 g/mol
LogP3.39
Rot. Bonds5

About (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97383991) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97383991
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C22H26N2O3S/c1-27-14-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-15-28-19/h2-8,15,18H,9-14,16H2,1H3/t18-/m1/s1
InChIKeyIXHGIWFDECEPEI-GOSISDBHSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383969
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383983
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383971
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97383991) is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IXHGIWFDECEPEI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-27-14-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-15-28-19/h2-8,15,18H,9-14,16H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 398.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97383991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).