9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H31N3O2 — CID 131638814

IUPAC9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-19-5-2-1-3-6-19)24-12-10-21(17-24)9-4-11-23(16-21)15-18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-17H2,(H,22,25)
InChIKeyJFQIAVVEUHAHRS-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.43
Rot. Bonds3

About 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide

9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 131638814) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID131638814
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-19-5-2-1-3-6-19)24-12-10-21(17-24)9-4-11-23(16-21)15-18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-17H2,(H,22,25)
InChIKeyJFQIAVVEUHAHRS-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 131638814) is 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1ccccc1)N1CCC2(CCCN(CC3CCOCC3)C2)C1.
What is the InChIKey of 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is JFQIAVVEUHAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(22-19-5-2-1-3-6-19)24-12-10-21(17-24)9-4-11-23(16-21)15-18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-17H2,(H,22,25).
What are the key properties of 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).