(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide

C15H25N3O3 — CID 97475313

IUPAC(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H25N3O3/c1-16(2)14(20)17-8-6-15(11-17)10-12(5-9-21-15)18-7-3-4-13(18)19/h12H,3-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyJUKHBNAILXBDHD-SWLSCSKDSA-N
MW295.38 g/mol
LogP0.91
Rot. Bonds1

About (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide

(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97475313) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID97475313
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H25N3O3/c1-16(2)14(20)17-8-6-15(11-17)10-12(5-9-21-15)18-7-3-4-13(18)19/h12H,3-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyJUKHBNAILXBDHD-SWLSCSKDSA-N
XLogP0.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 97475313) is (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is JUKHBNAILXBDHD-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-16(2)14(20)17-8-6-15(11-17)10-12(5-9-21-15)18-7-3-4-13(18)19/h12H,3-11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
(5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97475313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).