[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone

C22H30N4O — CID 56755522

IUPAC[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone
SMILESCCn1ccnc1CN1CCC2(CCCN(C(=O)c3ccccc3C)C2)C1
InChIInChI=1S/C22H30N4O/c1-3-25-14-11-23-20(25)15-24-13-10-22(16-24)9-6-12-26(17-22)21(27)19-8-5-4-7-18(19)2/h4-5,7-8,11,14H,3,6,9-10,12-13,15-17H2,1-2H3
InChIKeyWXGIPUZCKVUZJI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.34
Rot. Bonds4

About [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone

[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone (PubChem CID 56755522) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone
PubChem CID56755522
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone
SMILESCCn1ccnc1CN1CCC2(CCCN(C(=O)c3ccccc3C)C2)C1
InChIInChI=1S/C22H30N4O/c1-3-25-14-11-23-20(25)15-24-13-10-22(16-24)9-6-12-26(17-22)21(27)19-8-5-4-7-18(19)2/h4-5,7-8,11,14H,3,6,9-10,12-13,15-17H2,1-2H3
InChIKeyWXGIPUZCKVUZJI-UHFFFAOYSA-N
XLogP3.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone (CID 56755522) is [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone is CCn1ccnc1CN1CCC2(CCCN(C(=O)c3ccccc3C)C2)C1.
What is the InChIKey of [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone?
The InChIKey is WXGIPUZCKVUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-25-14-11-23-20(25)15-24-13-10-22(16-24)9-6-12-26(17-22)21(27)19-8-5-4-7-18(19)2/h4-5,7-8,11,14H,3,6,9-10,12-13,15-17H2,1-2H3.
What are the key properties of [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone?
[2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 56755522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).