2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

C17H29N5O — CID 97409287

IUPAC2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H29N5O/c1-14-11-15(20(3)19-14)12-21-9-6-17(7-10-21)5-4-8-22(17)13-16(23)18-2/h11H,4-10,12-13H2,1-3H3,(H,18,23)
InChIKeyQDNALJQIALVVRF-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.90
Rot. Bonds4

About 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (PubChem CID 97409287) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
PubChem CID97409287
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H29N5O/c1-14-11-15(20(3)19-14)12-21-9-6-17(7-10-21)5-4-8-22(17)13-16(23)18-2/h11H,4-10,12-13H2,1-3H3,(H,18,23)
InChIKeyQDNALJQIALVVRF-UHFFFAOYSA-N
XLogP0.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (CID 97409287) is 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC12CCN(Cc1cc(C)nn1C)CC2.
What is the InChIKey of 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The InChIKey is QDNALJQIALVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14-11-15(20(3)19-14)12-21-9-6-17(7-10-21)5-4-8-22(17)13-16(23)18-2/h11H,4-10,12-13H2,1-3H3,(H,18,23).
What are the key properties of 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide has a molecular weight of 319.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is sourced from PubChem (CID 97409287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).