1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea

C15H25N5O — CID 98895938

IUPAC1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(Cc3cncn3C)C2)C1
InChIInChI=1S/C15H25N5O/c1-18(2)14(21)17-12-6-15(7-12)4-5-20(10-15)9-13-8-16-11-19(13)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,21)
InChIKeyOHNZHCQIOBCQOF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.05
Rot. Bonds3

About 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea

1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea (PubChem CID 98895938) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea
PubChem CID98895938
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(Cc3cncn3C)C2)C1
InChIInChI=1S/C15H25N5O/c1-18(2)14(21)17-12-6-15(7-12)4-5-20(10-15)9-13-8-16-11-19(13)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,21)
InChIKeyOHNZHCQIOBCQOF-UHFFFAOYSA-N
XLogP1.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 98895536
3-[7-[(1,3-dimethylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894910
N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
CID 98894337
1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
CID 98897633
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959
3-[7-[(3-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894447
1,1-dimethyl-3-[(5R,9S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97476683
3,3-dimethyl-8-[(3-methylimidazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 155990506
N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 95848683
7-[(3-methylimidazol-4-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131652084
2-ethylsulfanyl-1-[5-(hydroxymethyl)-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 74240353
4-[(3-methylimidazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621945

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea (CID 98895938) is 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea is CN(C)C(=O)NC1CC2(CCN(Cc3cncn3C)C2)C1.
What is the InChIKey of 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea?
The InChIKey is OHNZHCQIOBCQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-18(2)14(21)17-12-6-15(7-12)4-5-20(10-15)9-13-8-16-11-19(13)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,21).
What are the key properties of 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea?
1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea has a molecular weight of 291.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea is sourced from PubChem (CID 98895938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).