[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C17H25N5O — CID 56752138

IUPAC[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC3(CCCNC3)C2)n1)N1CCCC1
InChIInChI=1S/C17H25N5O/c23-16(21-7-1-2-8-21)14-10-19-11-15(20-14)22-9-5-17(13-22)4-3-6-18-12-17/h10-11,18H,1-9,12-13H2
InChIKeyDTQFAJRPNBDBKY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.29
Rot. Bonds2

About [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56752138) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56752138
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC3(CCCNC3)C2)n1)N1CCCC1
InChIInChI=1S/C17H25N5O/c23-16(21-7-1-2-8-21)14-10-19-11-15(20-14)22-9-5-17(13-22)4-3-6-18-12-17/h10-11,18H,1-9,12-13H2
InChIKeyDTQFAJRPNBDBKY-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56752138) is [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(N2CCC3(CCCNC3)C2)n1)N1CCCC1.
What is the InChIKey of [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DTQFAJRPNBDBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-16(21-7-1-2-8-21)14-10-19-11-15(20-14)22-9-5-17(13-22)4-3-6-18-12-17/h10-11,18H,1-9,12-13H2.
What are the key properties of [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.42 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,9-diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56752138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).