2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide

C15H25N5O2 — CID 97396323

IUPAC2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H25N5O2/c1-16-14(21)10-20-6-7-22-11-15(20)2-4-19(5-3-15)9-13-8-17-12-18-13/h8,12H,2-7,9-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyKHOYAIFHCBKCOE-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.18
Rot. Bonds4

About 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide

2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide (PubChem CID 97396323) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide
PubChem CID97396323
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H25N5O2/c1-16-14(21)10-20-6-7-22-11-15(20)2-4-19(5-3-15)9-13-8-17-12-18-13/h8,12H,2-7,9-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyKHOYAIFHCBKCOE-UHFFFAOYSA-N
XLogP-0.18
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide (CID 97396323) is 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide is CNC(=O)CN1CCOCC12CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide?
The InChIKey is KHOYAIFHCBKCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-16-14(21)10-20-6-7-22-11-15(20)2-4-19(5-3-15)9-13-8-17-12-18-13/h8,12H,2-7,9-11H2,1H3,(H,16,21)(H,17,18).
What are the key properties of 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide?
2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide has a molecular weight of 307.40 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide is sourced from PubChem (CID 97396323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).