2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

C19H29N5O — CID 56913858

IUPAC2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)n1
InChIInChI=1S/C19H29N5O/c1-15-3-2-4-17(22-15)23-9-11-24(12-10-23)18(25)16-13-19(14-21-16)5-7-20-8-6-19/h2-4,16,20-21H,5-14H2,1H3
InChIKeySTLAWTNEZRECNA-UHFFFAOYSA-N
MW343.48 g/mol
LogP0.77
Rot. Bonds2

About 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 56913858) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID56913858
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)n1
InChIInChI=1S/C19H29N5O/c1-15-3-2-4-17(22-15)23-9-11-24(12-10-23)18(25)16-13-19(14-21-16)5-7-20-8-6-19/h2-4,16,20-21H,5-14H2,1H3
InChIKeySTLAWTNEZRECNA-UHFFFAOYSA-N
XLogP0.77
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 56913858) is 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)n1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is STLAWTNEZRECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-3-2-4-17(22-15)23-9-11-24(12-10-23)18(25)16-13-19(14-21-16)5-7-20-8-6-19/h2-4,16,20-21H,5-14H2,1H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-yl-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56913858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).