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

C22H28N2O2S — CID 97383969

IUPAC(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C22H28N2O2S/c1-26-13-12-24-21(25)20(19-5-3-2-4-6-19)15-22(24)8-10-23(11-9-22)16-18-7-14-27-17-18/h2-7,14,17,20H,8-13,15-16H2,1H3/t20-/m1/s1
InChIKeyPBPOOVSFEOVRHD-HXUWFJFHSA-N
MW384.55 g/mol
LogP3.75
Rot. Bonds6

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

(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97383969) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97383969
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C22H28N2O2S/c1-26-13-12-24-21(25)20(19-5-3-2-4-6-19)15-22(24)8-10-23(11-9-22)16-18-7-14-27-17-18/h2-7,14,17,20H,8-13,15-16H2,1H3/t20-/m1/s1
InChIKeyPBPOOVSFEOVRHD-HXUWFJFHSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383971
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
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
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383991
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653046
2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131648763
2-(2-methoxyethyl)-1'-(thiophen-3-ylmethyl)spiro[3H-5,1λ6,2-benzoxathiazepine-4,3'-pyrrolidine] 1,1-dioxide
CID 131668736
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118742484

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97383969) is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PBPOOVSFEOVRHD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-26-13-12-24-21(25)20(19-5-3-2-4-6-19)15-22(24)8-10-23(11-9-22)16-18-7-14-27-17-18/h2-7,14,17,20H,8-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 384.55 g/mol, XLogP of 3.75, 6 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-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97383969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).