ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C17H29N5O3 — CID 56741086

IUPACethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C17H29N5O3/c1-4-25-15(23)14-13(18-16(24)19-14)11-22-7-5-17(6-8-22)12-20(2)9-10-21(17)3/h4-12H2,1-3H3,(H2,18,19,24)
InChIKeySSBDNZHBCBGETG-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.09
Rot. Bonds4

About ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 56741086) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID56741086
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Nameethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C17H29N5O3/c1-4-25-15(23)14-13(18-16(24)19-14)11-22-7-5-17(6-8-22)12-20(2)9-10-21(17)3/h4-12H2,1-3H3,(H2,18,19,24)
InChIKeySSBDNZHBCBGETG-UHFFFAOYSA-N
XLogP0.09
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 95189454
ethyl (2S)-2-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)amino]propanoate
CID 95195401
9-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 95191645
3-[5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 56754023
bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium
CID 2171729
ethyl 5-[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169400692
ethyl 5-[[(5S)-5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl]sulfanylmethyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 7241775
ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
CID 97210276
ethyl 3-methyl-5-(1-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1H-pyrrole-2-carboxylate
CID 167756509
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 20540668

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 56741086) is ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC2(CC1)CN(C)CCN2C.
What is the InChIKey of ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is SSBDNZHBCBGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-4-25-15(23)14-13(18-16(24)19-14)11-22-7-5-17(6-8-22)12-20(2)9-10-21(17)3/h4-12H2,1-3H3,(H2,18,19,24).
What are the key properties of ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 56741086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).