2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H29N3O2 — CID 72885380

IUPAC2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cccc2cnccc12)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C24H29N3O2/c28-22-8-10-24(17-27(22)19-5-1-2-6-19)11-14-26(15-12-24)23(29)21-7-3-4-18-16-25-13-9-20(18)21/h3-4,7,9,13,16,19H,1-2,5-6,8,10-12,14-15,17H2
InChIKeyDTJJKGNLGKBHSV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.02
Rot. Bonds2

About 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72885380) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72885380
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cccc2cnccc12)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C24H29N3O2/c28-22-8-10-24(17-27(22)19-5-1-2-6-19)11-14-26(15-12-24)23(29)21-7-3-4-18-16-25-13-9-20(18)21/h3-4,7,9,13,16,19H,1-2,5-6,8,10-12,14-15,17H2
InChIKeyDTJJKGNLGKBHSV-UHFFFAOYSA-N
XLogP4.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
9-(isoquinoline-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757318
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-isoquinolin-5-ylmethanone
CID 56882612
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
CID 70761968
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70760251
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-isoquinolin-5-ylmethanone
CID 95559763

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72885380) is 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(c1cccc2cnccc12)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DTJJKGNLGKBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22-8-10-24(17-27(22)19-5-1-2-6-19)11-14-26(15-12-24)23(29)21-7-3-4-18-16-25-13-9-20(18)21/h3-4,7,9,13,16,19H,1-2,5-6,8,10-12,14-15,17H2.
What are the key properties of 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 391.52 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72885380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).