1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione

C21H29N3O3 — CID 97118865

IUPAC1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H29N3O3/c1-22-12-5-9-17(22)18(25)19(26)23-14-11-21(15-23)10-6-13-24(20(21)27)16-7-3-2-4-8-16/h5,9,12,16H,2-4,6-8,10-11,13-15H2,1H3/t21-/m1/s1
InChIKeyXUSHBELUOAUIHF-OAQYLSRUSA-N
MW371.48 g/mol
LogP2.38
Rot. Bonds3

About 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione

1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione (PubChem CID 97118865) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
PubChem CID97118865
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H29N3O3/c1-22-12-5-9-17(22)18(25)19(26)23-14-11-21(15-23)10-6-13-24(20(21)27)16-7-3-2-4-8-16/h5,9,12,16H,2-4,6-8,10-11,13-15H2,1H3/t21-/m1/s1
InChIKeyXUSHBELUOAUIHF-OAQYLSRUSA-N
XLogP2.38
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione with MolForge

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Related Compounds

(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
(5R)-7-cyclohexyl-2-(2-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97138081
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97127071
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72928464
7-cyclopentyl-2-(4-fluoro-2-methylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72939478
7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966
(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146419
(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97135326

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione?
The IUPAC name of 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione (CID 97118865) is 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione is Cn1cccc1C(=O)C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione?
The InChIKey is XUSHBELUOAUIHF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22-12-5-9-17(22)18(25)19(26)23-14-11-21(15-23)10-6-13-24(20(21)27)16-7-3-2-4-8-16/h5,9,12,16H,2-4,6-8,10-11,13-15H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione?
1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione has a molecular weight of 371.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione is sourced from PubChem (CID 97118865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).