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

C19H28N4O2 — CID 72852578

IUPAC7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nccn1CC(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-16-20-8-11-21(16)13-17(24)23-10-7-19(14-23)6-3-9-22(18(19)25)12-15-4-5-15/h8,11,15H,2-7,9-10,12-14H2,1H3
InChIKeyYRJMGCOQLJDIRI-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.70
Rot. Bonds5

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

7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72852578) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72852578
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nccn1CC(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-16-20-8-11-21(16)13-17(24)23-10-7-19(14-23)6-3-9-22(18(19)25)12-15-4-5-15/h8,11,15H,2-7,9-10,12-14H2,1H3
InChIKeyYRJMGCOQLJDIRI-UHFFFAOYSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45225712
(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146998
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
1-[2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 97150845
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72852578) is 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is CCc1nccn1CC(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YRJMGCOQLJDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-16-20-8-11-21(16)13-17(24)23-10-7-19(14-23)6-3-9-22(18(19)25)12-15-4-5-15/h8,11,15H,2-7,9-10,12-14H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72852578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).