2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 72873945

IUPAC2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)CCCn3ccnc3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3
InChIKeyDSBSGMHSSLFVGX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72873945) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72873945
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)CCCn3ccnc3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3
InChIKeyDSBSGMHSSLFVGX-UHFFFAOYSA-N
XLogP1.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72873945) is 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)CCCn3ccnc3)C2)C1=O.
What is the InChIKey of 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DSBSGMHSSLFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3.
What are the key properties of 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72873945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).