1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate

C17H30N4O2 — CID 178182953

IUPAC1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate
SMILESO=C(OC1CCCCC12CCNN2)C1CCCCC12CCNN2
InChIInChI=1S/C17H30N4O2/c22-15(13-5-1-3-7-16(13)9-11-18-20-16)23-14-6-2-4-8-17(14)10-12-19-21-17/h13-14,18-21H,1-12H2
InChIKeyZTVZJNMUGZDYPS-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.14
Rot. Bonds2

About 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate

1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 178182953) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Name1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate
PubChem CID178182953
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate
SMILESO=C(OC1CCCCC12CCNN2)C1CCCCC12CCNN2
InChIInChI=1S/C17H30N4O2/c22-15(13-5-1-3-7-16(13)9-11-18-20-16)23-14-6-2-4-8-17(14)10-12-19-21-17/h13-14,18-21H,1-12H2
InChIKeyZTVZJNMUGZDYPS-UHFFFAOYSA-N
XLogP1.14
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate (CID 178182953) is 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate is O=C(OC1CCCCC12CCNN2)C1CCCCC12CCNN2.
What is the InChIKey of 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is ZTVZJNMUGZDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c22-15(13-5-1-3-7-16(13)9-11-18-20-16)23-14-6-2-4-8-17(14)10-12-19-21-17/h13-14,18-21H,1-12H2.
What are the key properties of 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate?
1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazaspiro[4.5]decan-6-yl 1,2-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 178182953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).