[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone

C17H26N4O3 — CID 118744603

IUPAC[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCOC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H26N4O3/c1-19-13-18-8-15(19)16(22)21-5-7-24-17(11-21)10-20(4-6-23-12-17)9-14-2-3-14/h8,13-14H,2-7,9-12H2,1H3
InChIKeyVZQHHRAWGSKPJL-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.37
Rot. Bonds3

About [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone

[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 118744603) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID118744603
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCOC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H26N4O3/c1-19-13-18-8-15(19)16(22)21-5-7-24-17(11-21)10-20(4-6-23-12-17)9-14-2-3-14/h8,13-14H,2-7,9-12H2,1H3
InChIKeyVZQHHRAWGSKPJL-UHFFFAOYSA-N
XLogP0.37
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone (CID 118744603) is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCOC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is VZQHHRAWGSKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-13-18-8-15(19)16(22)21-5-7-24-17(11-21)10-20(4-6-23-12-17)9-14-2-3-14/h8,13-14H,2-7,9-12H2,1H3.
What are the key properties of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone?
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 118744603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).