2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H35N3O2 — CID 70740405

IUPAC2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O
InChIInChI=1S/C21H35N3O2/c1-2-22-16-20(12-8-18(22)25)9-7-13-23(17-20)19(26)21(10-3-4-11-21)24-14-5-6-15-24/h2-17H2,1H3
InChIKeyBORUNAXUQORTEC-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.65
Rot. Bonds3

About 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70740405) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70740405
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O
InChIInChI=1S/C21H35N3O2/c1-2-22-16-20(12-8-18(22)25)9-7-13-23(17-20)19(26)21(10-3-4-11-21)24-14-5-6-15-24/h2-17H2,1H3
InChIKeyBORUNAXUQORTEC-UHFFFAOYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579108
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 95868635
(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone
CID 131902398
8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70764812

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70740405) is 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BORUNAXUQORTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-2-22-16-20(12-8-18(22)25)9-7-13-23(17-20)19(26)21(10-3-4-11-21)24-14-5-6-15-24/h2-17H2,1H3.
What are the key properties of 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.53 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70740405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).