N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C17H28N4O3 — CID 97370263

IUPACN,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-18(2)14(22)13-21-12-7-17(15(21)23)5-10-20(11-6-17)16(24)19-8-3-4-9-19/h3-13H2,1-2H3
InChIKeyTXERXKHKRKJLLG-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.60
Rot. Bonds2

About N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 97370263) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID97370263
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-18(2)14(22)13-21-12-7-17(15(21)23)5-10-20(11-6-17)16(24)19-8-3-4-9-19/h3-13H2,1-2H3
InChIKeyTXERXKHKRKJLLG-UHFFFAOYSA-N
XLogP0.60
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 97370263) is N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is CN(C)C(=O)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O.
What is the InChIKey of N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is TXERXKHKRKJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-18(2)14(22)13-21-12-7-17(15(21)23)5-10-20(11-6-17)16(24)19-8-3-4-9-19/h3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-oxo-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 97370263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).