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

C18H32N4O2 — CID 97493805

IUPAC2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(2)19-17(24)21-11-7-18(8-12-21)6-5-16(23)22(18)14-13-20-9-3-4-10-20/h15H,3-14H2,1-2H3,(H,19,24)
InChIKeyFBWFBKUSIGOQBF-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.66
Rot. Bonds4

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

2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 97493805) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID97493805
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(2)19-17(24)21-11-7-18(8-12-21)6-5-16(23)22(18)14-13-20-9-3-4-10-20/h15H,3-14H2,1-2H3,(H,19,24)
InChIKeyFBWFBKUSIGOQBF-UHFFFAOYSA-N
XLogP1.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide (CID 97493805) is 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1.
What is the InChIKey of 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is FBWFBKUSIGOQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15(2)19-17(24)21-11-7-18(8-12-21)6-5-16(23)22(18)14-13-20-9-3-4-10-20/h15H,3-14H2,1-2H3,(H,19,24).
What are the key properties of 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide?
2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97493805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).