1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone

C23H30N2OS — CID 45248581

IUPAC1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC3(CCCN(CCc4ccccc4)C3)C2)cs1
InChIInChI=1S/C23H30N2OS/c1-19(26)22-14-21(16-27-22)15-25-13-10-23(18-25)9-5-11-24(17-23)12-8-20-6-3-2-4-7-20/h2-4,6-7,14,16H,5,8-13,15,17-18H2,1H3
InChIKeyAXANSTYBHYPOFG-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone

1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 45248581) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
PubChem CID45248581
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC3(CCCN(CCc4ccccc4)C3)C2)cs1
InChIInChI=1S/C23H30N2OS/c1-19(26)22-14-21(16-27-22)15-25-13-10-23(18-25)9-5-11-24(17-23)12-8-20-6-3-2-4-7-20/h2-4,6-7,14,16H,5,8-13,15,17-18H2,1H3
InChIKeyAXANSTYBHYPOFG-UHFFFAOYSA-N
XLogP4.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
1-[4-[[(3R)-3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42147098
1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
CID 56702894
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
ethyl 1-[(5-acetylthiophen-3-yl)methyl]-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
CID 45203487
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone (CID 45248581) is 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CCC3(CCCN(CCc4ccccc4)C3)C2)cs1.
What is the InChIKey of 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone?
The InChIKey is AXANSTYBHYPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-19(26)22-14-21(16-27-22)15-25-13-10-23(18-25)9-5-11-24(17-23)12-8-20-6-3-2-4-7-20/h2-4,6-7,14,16H,5,8-13,15,17-18H2,1H3.
What are the key properties of 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone?
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 382.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 45248581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).