7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide

C12H15N3O — CID 67254641

IUPAC7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESNC(=O)N1CC2(CNC2c2ccccc2)C1
InChIInChI=1S/C12H15N3O/c13-11(16)15-7-12(8-15)6-14-10(12)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H2,13,16)
InChIKeySIPDDWQBANMRRQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.71
Rot. Bonds1

About 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide

7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 67254641) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide
PubChem CID67254641
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESNC(=O)N1CC2(CNC2c2ccccc2)C1
InChIInChI=1S/C12H15N3O/c13-11(16)15-7-12(8-15)6-14-10(12)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H2,13,16)
InChIKeySIPDDWQBANMRRQ-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 67254641) is 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide is NC(=O)N1CC2(CNC2c2ccccc2)C1.
What is the InChIKey of 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The InChIKey is SIPDDWQBANMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-11(16)15-7-12(8-15)6-14-10(12)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H2,13,16).
What are the key properties of 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide?
7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 67254641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).