(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone

C19H25N3O — CID 138004361

IUPAC(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
SMILESCC1CC2(CCNCC2)CN1C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H25N3O/c1-14-12-19(7-9-20-10-8-19)13-22(14)18(23)17-11-15-5-3-4-6-16(15)21(17)2/h3-6,11,14,20H,7-10,12-13H2,1-2H3
InChIKeyMKLSVTNWVLXWHM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.78
Rot. Bonds1

About (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone

(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone (PubChem CID 138004361) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
PubChem CID138004361
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
SMILESCC1CC2(CCNCC2)CN1C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H25N3O/c1-14-12-19(7-9-20-10-8-19)13-22(14)18(23)17-11-15-5-3-4-6-16(15)21(17)2/h3-6,11,14,20H,7-10,12-13H2,1-2H3
InChIKeyMKLSVTNWVLXWHM-UHFFFAOYSA-N
XLogP2.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone?
The IUPAC name of (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone (CID 138004361) is (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone.
What is the SMILES notation for (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone?
The canonical SMILES for (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone is CC1CC2(CCNCC2)CN1C(=O)c1cc2ccccc2n1C.
What is the InChIKey of (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone?
The InChIKey is MKLSVTNWVLXWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-12-19(7-9-20-10-8-19)13-22(14)18(23)17-11-15-5-3-4-6-16(15)21(17)2/h3-6,11,14,20H,7-10,12-13H2,1-2H3.
What are the key properties of (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone?
(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 138004361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).