(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

C17H28N4O — CID 97393778

IUPAC(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESCC(C)N1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O/c1-14(2)20-9-6-17(7-10-20)5-4-8-21(12-17)16(22)15-11-18-13-19(15)3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyONHAPHYASDQEGC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.15
Rot. Bonds2

About (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 97393778) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID97393778
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESCC(C)N1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O/c1-14(2)20-9-6-17(7-10-20)5-4-8-21(12-17)16(22)15-11-18-13-19(15)3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyONHAPHYASDQEGC-UHFFFAOYSA-N
XLogP2.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (CID 97393778) is (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is CC(C)N1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1.
What is the InChIKey of (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is ONHAPHYASDQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)20-9-6-17(7-10-20)5-4-8-21(12-17)16(22)15-11-18-13-19(15)3/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
(3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 97393778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).