2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

C15H25N5O — CID 97396907

IUPAC2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H25N5O/c1-16-14(21)11-20-6-2-3-15(20)4-7-19(8-5-15)10-13-9-17-12-18-13/h9,12H,2-8,10-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyCIHABFLABNVVIX-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.59
Rot. Bonds4

About 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (PubChem CID 97396907) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
PubChem CID97396907
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H25N5O/c1-16-14(21)11-20-6-2-3-15(20)4-7-19(8-5-15)10-13-9-17-12-18-13/h9,12H,2-8,10-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyCIHABFLABNVVIX-UHFFFAOYSA-N
XLogP0.59
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (CID 97396907) is 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC12CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The InChIKey is CIHABFLABNVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-16-14(21)11-20-6-2-3-15(20)4-7-19(8-5-15)10-13-9-17-12-18-13/h9,12H,2-8,10-11H2,1H3,(H,16,21)(H,17,18).
What are the key properties of 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide has a molecular weight of 291.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is sourced from PubChem (CID 97396907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).