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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Related Compounds

1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638280
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
CID 174675554

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).