N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C15H28N4O — CID 128822489

IUPACN-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCNC1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C15H28N4O/c20-14(18-13-4-1-2-7-16-10-13)19-9-6-15(12-19)5-3-8-17-11-15/h13,16-17H,1-12H2,(H,18,20)
InChIKeyOMBIEHICCDJNDJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.91
Rot. Bonds1

About N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 128822489) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID128822489
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCNC1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C15H28N4O/c20-14(18-13-4-1-2-7-16-10-13)19-9-6-15(12-19)5-3-8-17-11-15/h13,16-17H,1-12H2,(H,18,20)
InChIKeyOMBIEHICCDJNDJ-UHFFFAOYSA-N
XLogP0.91
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 128822489) is N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is O=C(NC1CCCCNC1)N1CCC2(CCCNC2)C1.
What is the InChIKey of N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is OMBIEHICCDJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c20-14(18-13-4-1-2-7-16-10-13)19-9-6-15(12-19)5-3-8-17-11-15/h13,16-17H,1-12H2,(H,18,20).
What are the key properties of N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 128822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).