N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H29N5O2 — CID 56907158

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)Cc1noc(CN(C)C(=O)C2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)8-14-20-15(24-21-14)10-22(3)16(23)13-9-17(11-19-13)4-6-18-7-5-17/h12-13,18-19H,4-11H2,1-3H3
InChIKeyQGCZWWIMPRWPGT-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.96
Rot. Bonds5

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56907158) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56907158
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)Cc1noc(CN(C)C(=O)C2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)8-14-20-15(24-21-14)10-22(3)16(23)13-9-17(11-19-13)4-6-18-7-5-17/h12-13,18-19H,4-11H2,1-3H3
InChIKeyQGCZWWIMPRWPGT-UHFFFAOYSA-N
XLogP0.96
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56907158) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)Cc1noc(CN(C)C(=O)C2CC3(CCNCC3)CN2)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is QGCZWWIMPRWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)8-14-20-15(24-21-14)10-22(3)16(23)13-9-17(11-19-13)4-6-18-7-5-17/h12-13,18-19H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56907158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).