cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone

C19H30N4O2 — CID 74239838

IUPACcyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ncc(CN2CCC3(CCN(C(=O)C4CC4)CC3)C(CO)C2)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-20-10-17(21-14)12-22-7-4-19(16(11-22)13-24)5-8-23(9-6-19)18(25)15-2-3-15/h10,15-16,24H,2-9,11-13H2,1H3,(H,20,21)
InChIKeyHVMIXFVNJYMDFO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.55
Rot. Bonds4

About cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone

cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 74239838) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID74239838
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Namecyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ncc(CN2CCC3(CCN(C(=O)C4CC4)CC3)C(CO)C2)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-20-10-17(21-14)12-22-7-4-19(16(11-22)13-24)5-8-23(9-6-19)18(25)15-2-3-15/h10,15-16,24H,2-9,11-13H2,1H3,(H,20,21)
InChIKeyHVMIXFVNJYMDFO-UHFFFAOYSA-N
XLogP1.55
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 74239838) is cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1ncc(CN2CCC3(CCN(C(=O)C4CC4)CC3)C(CO)C2)[nH]1.
What is the InChIKey of cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is HVMIXFVNJYMDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-20-10-17(21-14)12-22-7-4-19(16(11-22)13-24)5-8-23(9-6-19)18(25)15-2-3-15/h10,15-16,24H,2-9,11-13H2,1H3,(H,20,21).
What are the key properties of cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(hydroxymethyl)-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 74239838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).