1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C20H24N2OS — CID 131653046

IUPAC1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C20H24N2OS/c1-21-19(23)13-18(17-5-3-2-4-6-17)20(21)8-10-22(11-9-20)14-16-7-12-24-15-16/h2-7,12,15,18H,8-11,13-14H2,1H3
InChIKeyVLCMMUHAQCSUTR-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.73
Rot. Bonds3

About 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131653046) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131653046
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C20H24N2OS/c1-21-19(23)13-18(17-5-3-2-4-6-17)20(21)8-10-22(11-9-20)14-16-7-12-24-15-16/h2-7,12,15,18H,8-11,13-14H2,1H3
InChIKeyVLCMMUHAQCSUTR-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-pyridin-4-yl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131655923
(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384134
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383969
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740873
1-methyl-4-pyridin-4-yl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155843077
(3aR,7aR)-1-methylsulfonyl-3a-phenyl-6-(thiophen-3-ylmethyl)-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 97381142
1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118742484
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118738925
1-[(3aR,7aS)-3a-phenyl-6-(thiophen-3-ylmethyl)-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-1-yl]ethanone
CID 97381124
1-methyl-4-(pyridin-4-ylmethyl)-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131653046) is 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2ccccc2)C12CCN(Cc1ccsc1)CC2.
What is the InChIKey of 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VLCMMUHAQCSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-21-19(23)13-18(17-5-3-2-4-6-17)20(21)8-10-22(11-9-20)14-16-7-12-24-15-16/h2-7,12,15,18H,8-11,13-14H2,1H3.
What are the key properties of 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131653046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).