2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O3 — CID 72885977

IUPAC2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nccn1CC(=O)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C20H30N4O3/c1-2-17-21-8-11-22(17)14-18(25)23-10-7-20(15-23)6-3-9-24(19(20)26)16-4-12-27-13-5-16/h8,11,16H,2-7,9-10,12-15H2,1H3
InChIKeyFXHOBKSBHJRMBI-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72885977) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72885977
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nccn1CC(=O)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C20H30N4O3/c1-2-17-21-8-11-22(17)14-18(25)23-10-7-20(15-23)6-3-9-24(19(20)26)16-4-12-27-13-5-16/h8,11,16H,2-7,9-10,12-15H2,1H3
InChIKeyFXHOBKSBHJRMBI-UHFFFAOYSA-N
XLogP1.47
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
7-cyclopentyl-2-[4-(1H-imidazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72841640
2-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]carbonyl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72870818
9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896634
9-(1H-imidazol-1-ylacetyl)-2-(1-methyl-3-pyrrolidinyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900942
[2-Methyl-8-(1-methylimidazole-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124045062
(5S)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401862
7-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72843547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72885977) is 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CCc1nccn1CC(=O)N1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FXHOBKSBHJRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-17-21-8-11-22(17)14-18(25)23-10-7-20(15-23)6-3-9-24(19(20)26)16-4-12-27-13-5-16/h8,11,16H,2-7,9-10,12-15H2,1H3.
What are the key properties of 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylimidazol-1-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72885977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).