N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide

C17H31N3O — CID 56721742

IUPACN-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O/c1-14(21)19(2)16-5-12-20(13-16)15-3-6-17(7-4-15)8-10-18-11-9-17/h15-16,18H,3-13H2,1-2H3
InChIKeyNLYCVHDUVNOERV-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds2

About N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide

N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 56721742) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID56721742
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O/c1-14(21)19(2)16-5-12-20(13-16)15-3-6-17(7-4-15)8-10-18-11-9-17/h15-16,18H,3-13H2,1-2H3
InChIKeyNLYCVHDUVNOERV-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide (CID 56721742) is N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is NLYCVHDUVNOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(21)19(2)16-5-12-20(13-16)15-3-6-17(7-4-15)8-10-18-11-9-17/h15-16,18H,3-13H2,1-2H3.
What are the key properties of N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide?
N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 293.45 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-azaspiro[5.5]undecan-9-yl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 56721742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).