4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 97471417

IUPAC4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCC2(CC1)CN(CC1CC1)C(=O)CO2
InChIInChI=1S/C17H26N4O2/c1-19-9-6-18-15(19)11-20-7-4-17(5-8-20)13-21(10-14-2-3-14)16(22)12-23-17/h6,9,14H,2-5,7-8,10-13H2,1H3
InChIKeyOYSORVSSNKAFPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.02
Rot. Bonds4

About 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471417) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471417
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCC2(CC1)CN(CC1CC1)C(=O)CO2
InChIInChI=1S/C17H26N4O2/c1-19-9-6-18-15(19)11-20-7-4-17(5-8-20)13-21(10-14-2-3-14)16(22)12-23-17/h6,9,14H,2-5,7-8,10-13H2,1H3
InChIKeyOYSORVSSNKAFPJ-UHFFFAOYSA-N
XLogP1.02
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471417) is 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cn1ccnc1CN1CCC2(CC1)CN(CC1CC1)C(=O)CO2.
What is the InChIKey of 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OYSORVSSNKAFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-9-6-18-15(19)11-20-7-4-17(5-8-20)13-21(10-14-2-3-14)16(22)12-23-17/h6,9,14H,2-5,7-8,10-13H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).