1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide

C16H30N4O2 — CID 97493711

IUPAC1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)17-15(22)19-9-7-16(8-10-19)6-5-14(21)20(16)12-11-18(3)4/h13H,5-12H2,1-4H3,(H,17,22)
InChIKeyQMQLVBDNBOQCTB-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide

1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 97493711) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID97493711
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)17-15(22)19-9-7-16(8-10-19)6-5-14(21)20(16)12-11-18(3)4/h13H,5-12H2,1-4H3,(H,17,22)
InChIKeyQMQLVBDNBOQCTB-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide (CID 97493711) is 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QMQLVBDNBOQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(2)17-15(22)19-9-7-16(8-10-19)6-5-14(21)20(16)12-11-18(3)4/h13H,5-12H2,1-4H3,(H,17,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide?
1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97493711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).