2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

C17H29N3O2 — CID 97409289

IUPAC2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C17H29N3O2/c1-18-15(21)13-20-10-4-7-17(20)8-11-19(12-9-17)16(22)14-5-2-3-6-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyFDRVNGXPMMBPGE-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds3

About 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (PubChem CID 97409289) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
PubChem CID97409289
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C17H29N3O2/c1-18-15(21)13-20-10-4-7-17(20)8-11-19(12-9-17)16(22)14-5-2-3-6-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyFDRVNGXPMMBPGE-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (CID 97409289) is 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC12CCN(C(=O)C1CCCC1)CC2.
What is the InChIKey of 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The InChIKey is FDRVNGXPMMBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-15(21)13-20-10-4-7-17(20)8-11-19(12-9-17)16(22)14-5-2-3-6-14/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is sourced from PubChem (CID 97409289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).