3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide

C12H15N3O — CID 90881163

IUPAC3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide
SMILESNC(=O)c1cccc(C2N3CCN2CC3)c1
InChIInChI=1S/C12H15N3O/c13-11(16)9-2-1-3-10(8-9)12-14-4-5-15(12)7-6-14/h1-3,8,12H,4-7H2,(H2,13,16)
InChIKeyRZHJDNHMPUNECX-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.42
Rot. Bonds2

About 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide

3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide (PubChem CID 90881163) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide.

Molecular Properties

Compound Name3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide
PubChem CID90881163
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide
SMILESNC(=O)c1cccc(C2N3CCN2CC3)c1
InChIInChI=1S/C12H15N3O/c13-11(16)9-2-1-3-10(8-9)12-14-4-5-15(12)7-6-14/h1-3,8,12H,4-7H2,(H2,13,16)
InChIKeyRZHJDNHMPUNECX-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide?
The IUPAC name of 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide (CID 90881163) is 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide.
What is the SMILES notation for 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide?
The canonical SMILES for 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide is NC(=O)c1cccc(C2N3CCN2CC3)c1.
What is the InChIKey of 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide?
The InChIKey is RZHJDNHMPUNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-11(16)9-2-1-3-10(8-9)12-14-4-5-15(12)7-6-14/h1-3,8,12H,4-7H2,(H2,13,16).
What are the key properties of 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide?
3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide has a molecular weight of 217.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide is sourced from PubChem (CID 90881163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).