9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C21H25N3O2 — CID 162638778

IUPAC9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCn1cc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)24-13-5-11-21(24)10-4-12-23(20(21)26)15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeySMLDMJWYHMBKLG-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.94
Rot. Bonds2

About 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638778) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638778
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCn1cc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)24-13-5-11-21(24)10-4-12-23(20(21)26)15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeySMLDMJWYHMBKLG-UHFFFAOYSA-N
XLogP2.94
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162638778) is 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is Cn1cc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c2ccccc21.
What is the InChIKey of 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SMLDMJWYHMBKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)24-13-5-11-21(24)10-4-12-23(20(21)26)15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3.
What are the key properties of 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 351.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).