(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C20H25N3O2 — CID 42291921

IUPAC(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1=O
InChIInChI=1S/C20H25N3O2/c1-21-10-5-8-20(19(21)25)9-11-23(14-20)18(24)12-15-13-22(2)17-7-4-3-6-16(15)17/h3-4,6-7,13H,5,8-12,14H2,1-2H3/t20-/m1/s1
InChIKeyHMRQSRCHGKUATM-HXUWFJFHSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds2

About (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42291921) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42291921
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1=O
InChIInChI=1S/C20H25N3O2/c1-21-10-5-8-20(19(21)25)9-11-23(14-20)18(24)12-15-13-22(2)17-7-4-3-6-16(15)17/h3-4,6-7,13H,5,8-12,14H2,1-2H3/t20-/m1/s1
InChIKeyHMRQSRCHGKUATM-HXUWFJFHSA-N
XLogP2.19
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
CID 56895188
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 95200464
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513

Frequently Asked Questions

What is the IUPAC name of (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42291921) is (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@]2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1=O.
What is the InChIKey of (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HMRQSRCHGKUATM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-10-5-8-20(19(21)25)9-11-23(14-20)18(24)12-15-13-22(2)17-7-4-3-6-16(15)17/h3-4,6-7,13H,5,8-12,14H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 339.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42291921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).