(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one

C21H30N2O2S — CID 97134259

IUPAC(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cs1
InChIInChI=1S/C21H30N2O2S/c1-16(24)19-12-17(14-26-19)13-22-11-9-21(15-22)8-5-10-23(20(21)25)18-6-3-2-4-7-18/h12,14,18H,2-11,13,15H2,1H3/t21-/m1/s1
InChIKeyLAWPSIQPDBICQY-OAQYLSRUSA-N
MW374.55 g/mol
LogP4.10
Rot. Bonds4

About (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97134259) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97134259
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cs1
InChIInChI=1S/C21H30N2O2S/c1-16(24)19-12-17(14-26-19)13-22-11-9-21(15-22)8-5-10-23(20(21)25)18-6-3-2-4-7-18/h12,14,18H,2-11,13,15H2,1H3/t21-/m1/s1
InChIKeyLAWPSIQPDBICQY-OAQYLSRUSA-N
XLogP4.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133364
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97156512
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
7-(oxan-4-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855207
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
1-[4-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 72868869
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
CID 45248581
(5S)-2-[2-(5-acetylthiophen-3-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125043
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one (CID 97134259) is (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one is CC(=O)c1cc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cs1.
What is the InChIKey of (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LAWPSIQPDBICQY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-16(24)19-12-17(14-26-19)13-22-11-9-21(15-22)8-5-10-23(20(21)25)18-6-3-2-4-7-18/h12,14,18H,2-11,13,15H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97134259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).